File:4AcoMET-UAM1.png

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Original file(3,072 × 2,920 pixels, file size: 556 KB, MIME type: image/png)

Summary

⧼wm-license-information-description⧽
English: Ball and bond-type visualization of isolated 4-AcO-MET molecule.
Atoms: White: Hydrogen, Black: Carbon, Red: Oxygen, Blue: Nitrogen
Molecule.svg
The geometry of this molecule have been calculated with AM1.
⧼wm-license-information-date⧽
⧼wm-license-information-source⧽ ⧼Wm-license-own-work⧽
⧼wm-license-information-author⧽ Meisam

Licencing

⧼wm-license-self-one-license⧽

Geometry in Z-matrix

C              
C                  1            B1
C                  2            B2    1            A1
H                  3            B3    2            A2    1            D1    0
C                  3            B4    2            A3    1            D2    0
O                  1            B5    2            A4    5            D3    0
C                  6            B6    1            A5    2            D4    0
C                  7            B7    6            A6    1            D5    0
H                  8            B8    7            A7    6            D6    0
H                  8            B9    7            A8    6            D7    0
H                  8           B10    7            A9    6            D8    0
O                  7           B11    6           A10    1            D9    0
N                  3           B12    2           A11    1           D10    0
H                 13           B13    3           A12    2           D11    0
C                  5           B14    3           A13    2           D12    0
H                 15           B15    5           A14    3           D13    0
H                 15           B16    5           A15    3           D14    0
C                 15           B17    5           A16    3           D15    0
H                 18           B18   15           A17    5           D16    0
H                 18           B19   15           A18    5           D17    0
N                 18           B20   15           A19    5           D18    0
C                 21           B21   18           A20   15           D19    0
H                 22           B22   21           A21   18           D20    0
H                 22           B23   21           A22   18           D21    0
H                 22           B24   21           A23   18           D22    0
C                 21           B25   18           A24   15           D23    0
H                 26           B26   21           A25   18           D24    0
H                 26           B27   21           A26   18           D25    0
C                 26           B28   21           A27   18           D26    0
H                 29           B29   26           A28   21           D27    0
H                 29           B30   26           A29   21           D28    0
H                 29           B31   26           A30   21           D29    0
C                 13           B32    3           A31    2           D30    0
C                 33           B33   13           A32    3           D31    0
H                 34           B34   33           A33   13           D32    0
C                 34           B35   33           A34   13           D33    0
H                 36           B36   34           A35   33           D34    0
C                  1           B37    6           A36    7           D35    0
H                 38           B38    1           A37    6           D36    0
  B1             1.40495288
  B2             2.28400403
  B3             1.09147399
  B4             1.39680573
  B5             1.39201585
  B6             1.37718497
  B7             1.49060392
  B8             1.11756532
  B9             1.11778832
  B10            1.11691613
  B11            1.22828394
  B12            1.39650274
  B13            0.98384762
  B14            1.47010663
  B15            1.12399892
  B16            1.12367230
  B17            1.53384203
  B18            1.13039633
  B19            1.12703100
  B20            1.45682044
  B21            1.44415733
  B22            1.12527792
  B23            1.12152584
  B24            1.12142828
  B25            1.45291749
  B26            1.12746397
  B27            1.12762134
  B28            1.52108328
  B29            1.11659778
  B30            1.11609237
  B31            1.11640928
  B32            1.39582611
  B33            1.40513616
  B34            1.09768937
  B35            1.38455617
  B36            1.10075414
  B37            1.39128359
  B38            1.09991990
  A1           171.47404568
  A2           166.50922949
  A3            37.37331700
  A4           116.79277887
  A5           120.53767334
  A6           111.11317850
  A7           110.70231249
  A8           108.78620490
  A9           109.00515331
  A10          119.98002343
  A11           72.83936319
  A12          126.09013082
  A13          126.44440571
  A14          109.66582786
  A15          109.29930180
  A16          110.74361026
  A17          108.34600431
  A18          107.85112197
  A19          113.20327195
  A20          113.33585239
  A21          113.41828420
  A22          109.09973164
  A23          108.87363063
  A24          113.17046187
  A25          107.16957872
  A26          107.12121903
  A27          117.43849403
  A28          110.90012408
  A29          109.33548194
  A30          111.05661858
  A31          108.48522446
  A32          130.39196683
  A33          120.91219998
  A34          117.86274605
  A35          119.54755735
  A36          122.60029710
  A37          119.84984557
  D1             1.34765663
  D2             0.64555317
  D3             4.84453388
  D4          -136.01657454
  D5           177.53393213
  D6           -25.27455869
  D7            94.55998039
  D8          -146.24886893
  D9            -2.84584881
  D10         -179.11277615
  D11         -179.39107055
  D12          178.94334238
  D13         -176.60254012
  D14          -58.99247627
  D15           62.44007041
  D16          -57.67497081
  D17           58.13736268
  D18          178.11759427
  D19           74.70487010
  D20           62.57050835
  D21         -176.52059890
  D22          -58.13398041
  D23         -154.27540191
  D24          174.88099701
  D25           59.81123895
  D26          -62.61865544
  D27           59.91468144
  D28          179.58815462
  D29          -60.69849515
  D30           -0.05187147
  D31         -179.72127285
  D32            0.06057232
  D33          179.85122989
  D34         -179.70828781
  D35           48.92731103
  D36           -6.70487179

File history

Click on a date/time to view the file as it appeared at that time.

Date/TimeThumbnailDimensionsUserComment
current20:58, 9 September 2016Thumbnail for version as of 20:58, 9 September 20163,072 × 2,920 (556 KB)Meisam (talk | contribs)tight optimization, NBO band
19:22, 7 September 2016Thumbnail for version as of 19:22, 7 September 20163,392 × 2,672 (549 KB)Meisam (talk | contribs)Oops! Extra carbon!
23:30, 6 September 2016Thumbnail for version as of 23:30, 6 September 20163,696 × 2,704 (581 KB)Meisam (talk | contribs)Standard colors
22:20, 6 September 2016Thumbnail for version as of 22:20, 6 September 20163,244 × 2,290 (482 KB)Meisam (talk | contribs)Too many pixels!
22:18, 6 September 2016Thumbnail for version as of 22:18, 6 September 20165,754 × 2,925 (552 KB)Meisam (talk | contribs)background > white, hydrogen > yellow
20:56, 6 September 2016Thumbnail for version as of 20:56, 6 September 20163,351 × 2,106 (391 KB)Meisam (talk | contribs)User created page with UploadWizard
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