File:4AcoMET-UB3LYP.png
Jump to navigation
Jump to search
Size of this preview: 800 × 568 pixels. Other resolutions: 320 × 227 pixels | 3,640 × 2,584 pixels.
Original file (3,640 × 2,584 pixels, file size: 684 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
|
||
| ⧼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 1.40567762 B2 2.24908255 B3 1.08111173 B4 1.37201299 B5 1.40157194 B6 1.37550066 B7 1.50634359 B8 1.09752684 B9 1.09280224 B10 1.08973610 B11 1.20543205 B12 1.38218165 B13 1.00627929 B14 1.50331114 B15 1.09558200 B16 1.09585169 B17 1.54241604 B18 1.10635128 B19 1.09398661 B20 1.46519581 B21 1.45885044 B22 1.10538858 B23 1.09466809 B24 1.09339907 B25 1.46912484 B26 1.09744415 B27 1.09689458 B28 1.53858440 B29 1.09419424 B30 1.09518157 B31 1.09467510 B32 1.37799392 B33 1.39944340 B34 1.08587382 B35 1.38817441 B36 1.08544190 B37 1.38390017 B38 1.08456984 A1 171.30740803 A2 167.23767877 A3 38.21065748 A4 120.21765562 A5 118.45782374 A6 109.82734223 A7 108.37409165 A8 110.78039838 A9 109.37729954 A10 123.64664039 A11 72.21410811 A12 125.43174664 A13 126.00031262 A14 110.09307773 A15 108.49958370 A16 113.00827042 A17 108.29510251 A18 108.49281122 A19 113.09277903 A20 113.45482462 A21 114.03004358 A22 109.40171287 A23 110.20722270 A24 112.90966531 A25 107.19648660 A26 107.18639661 A27 117.32501571 A28 111.78115395 A29 109.86750437 A30 111.92408776 A31 109.22371731 A32 129.99353886 A33 121.27750647 A34 117.47843971 A35 119.67830363 A36 118.85181011 A37 118.88544898 D1 1.39374546 D2 -0.79307962 D3 4.74389265 D4 -85.41407892 D5 175.27685844 D6 -71.89986014 D7 46.33231765 D8 168.39489349 D9 -2.84164382 D10 179.35360985 D11 -178.22889919 D12 179.93119260 D13 -130.03329212 D14 -14.16840187 D15 108.11545645 D16 -69.79313989 D17 45.94697297 D18 164.62595097 D19 64.52813316 D20 57.86876473 D21 178.80615045 D22 -63.27123096 D23 -165.35248336 D24 171.87910642 D25 57.83491366 D26 -65.14574239 D27 60.69929998 D28 -179.93919153 D29 -60.57614173 D30 -0.20980907 D31 -179.73016176 D32 0.04004266 D33 -179.90458120 D34 -179.99019856 D35 99.08985723 D36 -4.07604127
File history
Click on a date/time to view the file as it appeared at that time.
| Date/Time | Thumbnail | Dimensions | User | Comment | |
|---|---|---|---|---|---|
| current | 20:01, 9 September 2016 | | 3,640 × 2,584 (684 KB) | Meisam (talk | contribs) | =={{int:filedesc}}== {{Information |description={{en|1=Ball and bond-type visualization of isolated 4-AcO-MET molecule. <br>'''Atoms''': White: Hydrogen, Black: Carbon, Red: Oxygen, Blue: Nitrogen}} {{Molecular-geometry|B3LYP}} |date=2016-09-07 |so... |
You cannot overwrite this file.
File usage
The following page links to this file:
