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Salicylhydrazide |
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ID: API-42917 CAS:936-02-7 Supplier:APIchem SMILES:Oc1c(cccc1)C(=O)NN ChemMol.com FORMULA: C7H8N2O2
MASS: 152.1506
EXACT MASS: 152.0585775
INTERATOMIC DISTANCES
O 1 O 2 N 3 N 4 C 5 C 6
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O 1 0.0000
O 2 1.7321 0.0000
N 3 3.0000 1.7320 0.0000
N 4 3.6056 2.0000 1.0000 0.0000
C 5 1.7321 1.7320 1.7320 2.6457 0.0000
C 6 1.0001 2.0000 2.6457 3.4641 1.0000 0.0000
C 7 2.6458 2.6457 2.0000 3.0000 1.0000 1.7320
C 8 1.7321 3.0000 3.4641 4.3589 1.7320 1.0000
C 9 3.0000 3.4641 3.0000 4.0000 1.7320 2.0000
C 10 2.0000 1.0000 1.0000 1.7320 1.0000 1.7320
C 11 2.6458 3.6055 3.6055 4.5826 2.0000 1.7320
H 12 3.1409 2.8292 1.7733 2.7431 1.4158 2.2901
H 13 1.8397 3.3533 4.0130 4.8708 2.2901 1.4158
H 14 3.6201 4.0130 3.3533 4.3433 2.2901 2.6200
H 15 3.1408 4.2100 4.2100 5.1927 2.6200 2.2901
H 16 3.3533 2.2901 0.6201 1.4158 1.8397 2.8292
H 17 0.6200 2.2901 3.6200 4.2100 2.2901 1.4158
H 18 4.2101 2.6200 1.4158 0.6201 3.1408 4.0130
H 19 3.4849 1.7732 1.4158 0.6200 2.8292 3.5191
C 7 C 8 C 9 C 10 C 11 H 12
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C 7 0.0000
C 8 2.0000 0.0000
C 9 1.0000 1.7320 0.0000
C 10 1.7320 2.6457 2.6457 0.0000
C 11 1.7320 1.0000 1.0000 3.0000 0.0000
H 12 0.6201 2.6200 1.4158 1.8397 2.2901 0.0000
H 13 2.6200 0.6201 2.2901 3.1408 1.4158 3.2401
H 14 1.4158 2.2901 0.6201 3.1408 1.4158 1.6200
H 15 2.2901 1.4158 1.4158 3.6200 0.6200 2.8059
H 16 1.7733 3.5192 2.7431 1.4158 3.4849 1.3800
H 17 3.1408 1.8397 3.3533 2.6200 2.8292 3.6740
H 18 3.3533 4.8708 4.3433 2.2901 5.0104 3.0000
H 19 3.3533 4.4726 4.3433 1.8397 4.8212 3.1864
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 2.8060 0.0000
H 15 1.6200 1.6200 0.0000
H 16 4.1078 3.0000 4.0601 0.0000
H 17 1.7320 3.9666 3.2380 3.9666 0.0000
H 18 5.4054 4.6200 5.6083 1.6200 4.8185 0.0000
H 19 4.9340 4.7432 5.4400 1.9436 4.0601 1.0739
H 19
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H 19 0.0000
ATOMIC CHARGES
O 1 -0.5060087041
O 2 -0.2687706236
N 3 -0.2494632711
N 4 -0.2541227663
C 5 0.0792411515
C 6 0.1289876012
C 7 -0.0460568531
C 8 -0.0194209219
C 9 -0.0608168242
C 10 0.2608900345
C 11 -0.0582704607
H 12 0.0626195809
H 13 0.0654148640
H 14 0.0617806276
H 15 0.0618711925
H 16 0.1690266123
H 17 0.2921621550
H 18 0.1404683027
H 19 0.1404683027
BOND ANGLES
17 1 6 HO O3 Car 120.000
1 6 8 O3 Car Car 119.998
6 1 17 Car O3 HO 120.000
10 3 4 C2 Nam N3 120.001
3 4 18 Nam N3 HC 119.997
3 4 19 Nam N3 HC 120.002
16 3 4 HC Nam N3 119.997
3 4 18 Nam N3 HC 119.997
3 4 19 Nam N3 HC 120.002
4 3 10 N3 Nam C2 120.001
16 3 10 HC Nam C2 120.002
4 3 16 N3 Nam HC 119.997
10 3 16 C2 Nam HC 120.002
19 4 18 HC N3 HC 120.001
18 4 19 HC N3 HC 120.001
7 5 6 Car Car Car 119.999
5 6 8 Car Car Car 120.001
10 5 6 C2 Car Car 120.001
5 6 8 Car Car Car 120.001
6 5 7 Car Car Car 119.999
5 7 9 Car Car Car 120.001
5 7 12 Car Car HC 120.002
10 5 7 C2 Car Car 120.001
5 7 9 Car Car Car 120.001
5 7 12 Car Car HC 120.002
6 5 10 Car Car C2 120.001
7 5 10 Car Car C2 120.001
12 7 9 HC Car Car 119.997
7 9 11 Car Car Car 120.001
7 9 14 Car Car HC 119.997
9 7 12 Car Car HC 119.997
13 8 11 HC Car Car 120.002
8 11 15 Car Car HC 120.001
11 8 13 Car Car HC 120.002
14 9 11 HC Car Car 120.002
9 11 15 Car Car HC 120.001
11 9 14 Car Car HC 120.002
TORSION ANGLES
17 1 6 5 179.974
17 1 6 8 0.026
10 3 4 18 179.974
10 3 4 19 0.026
16 3 4 18 0.026
16 3 4 19 179.974
4 3 10 2 0.026
4 3 10 5 179.974
16 3 10 2 179.974
16 3 10 5 0.026
7 5 6 1 179.974
7 5 6 8 0.026
10 5 6 1 0.026
10 5 6 8 179.974
6 5 7 9 0.026
6 5 7 12 179.974
10 5 7 9 179.974
10 5 7 12 0.026
6 5 10 2 0.026
6 5 10 3 179.974
7 5 10 2 179.974
7 5 10 3 0.026
1 6 8 11 179.974
1 6 8 13 0.026
5 6 8 11 0.026
5 6 8 13 179.974
5 7 9 11 0.026
5 7 9 14 179.974
12 7 9 11 179.974
12 7 9 14 0.026
6 8 11 9 0.026
6 8 11 15 179.974
13 8 11 9 179.974
13 8 11 15 0.026
7 9 11 8 0.026
7 9 11 15 179.974
14 9 11 8 179.974
14 9 11 15 0.026
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