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2-Chloro-6-methoxybenzamide |
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ID: API-28640 CAS:107485-43-8 Supplier:APIchem SMILES:Clc1c(c(OC)ccc1)C(=O)N ChemMol.com FORMULA: C8H8ClNO2
MASS: 185.6076
EXACT MASS: 185.0243562
INTERATOMIC DISTANCES
Cl 1 O 2 O 3 N 4 C 5 C 6
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Cl 1 0.0000
O 2 3.4641 0.0000
O 3 3.0000 1.7320 0.0000
N 4 1.7320 3.0000 1.7321 0.0000
C 5 1.7320 1.7321 1.7321 1.7320 0.0000
C 6 2.6458 1.0000 2.0000 2.6458 1.0001 0.0000
C 7 1.0000 2.6458 2.6458 2.0000 1.0000 1.7321
C 8 3.0000 1.7320 3.0000 3.4641 1.7321 1.0000
C 9 1.7320 3.0000 3.4641 3.0000 1.7320 2.0000
C 10 2.6457 2.6458 3.6056 3.6055 2.0000 1.7321
C 11 2.0000 2.0000 1.0001 1.0000 1.0000 1.7321
C 12 4.3589 1.0000 2.6457 4.0000 2.6458 1.7320
H 13 3.6200 1.8397 3.3533 4.0130 2.2901 1.4158
H 14 1.8397 3.6200 4.0130 3.3533 2.2900 2.6200
H 15 3.1407 3.1408 4.2101 4.2100 2.6200 2.2901
H 16 4.6402 1.1766 2.5121 4.0478 2.9083 2.1114
H 17 4.9339 1.6199 3.2379 4.6200 3.2380 2.2900
H 18 4.1517 1.1766 2.9083 4.0477 2.5121 1.5200
H 19 2.2901 3.3533 1.8397 0.6200 2.2901 3.1408
H 20 1.2347 3.3533 2.2901 0.6200 1.8396 2.8292
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 2.0000 0.0000
C 9 1.0000 1.7321 0.0000
C 10 1.7320 1.0001 1.0000 0.0000
C 11 1.7320 2.6458 2.6457 3.0000 0.0000
C 12 3.4641 2.0000 3.6055 3.0000 3.0000 0.0000
H 13 2.6200 0.6200 2.2901 1.4158 3.1408 1.7732
H 14 1.4158 2.2901 0.6200 1.4157 3.1407 4.2100
H 15 2.2901 1.4158 1.4158 0.6200 3.6200 3.3533
H 16 3.8121 2.5557 4.0750 3.5505 3.0634 0.6200
H 17 4.0130 2.3715 4.0601 3.3533 3.6200 0.6200
H 18 3.1995 1.4955 3.1879 2.4825 3.0634 0.6200
H 19 2.6200 4.0131 3.6200 4.2100 1.4158 4.3433
H 20 1.7732 3.5192 2.7431 3.4849 1.4157 4.3433
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 2.8059 0.0000
H 15 1.6200 1.6199 0.0000
H 16 2.3825 4.6900 3.9391 0.0000
H 17 2.0000 4.6468 3.6200 0.8768 0.0000
H 18 1.1752 3.7711 2.7824 1.2399 0.8768 0.0000
H 19 4.5380 3.9665 4.8185 4.3108 4.9591 4.4626
H 20 4.1077 3.0000 4.0601 4.4626 4.9591 4.3107
H 19 H 20
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H 19 0.0000
H 20 1.0739 0.0000
ATOMIC CHARGES
Cl 1 -0.0826429635
O 2 -0.4943051977
O 3 -0.2702394516
N 4 -0.3252060152
C 5 0.0962513073
C 6 0.1335900084
C 7 0.0565962858
C 8 -0.0191065795
C 9 -0.0424204203
C 10 -0.0568860269
C 11 0.2464880319
C 12 0.0788178912
H 13 0.0654224182
H 14 0.0632299377
H 15 0.0619145053
H 16 0.0659935245
H 17 0.0659935245
H 18 0.0659935245
H 19 0.1452578477
H 20 0.1452578477
BOND ANGLES
12 2 6 C3 O3 Car 119.999
2 6 8 O3 Car Car 120.001
6 2 12 Car O3 C3 119.999
2 12 16 O3 C3 HC 90.001
2 12 17 O3 C3 HC 179.974
2 12 18 O3 C3 HC 89.999
19 4 11 HC Nam C2 120.001
20 4 11 HC Nam C2 119.998
11 4 19 C2 Nam HC 120.001
20 4 19 HC Nam HC 120.002
11 4 20 C2 Nam HC 119.998
19 4 20 HC Nam HC 120.002
7 5 6 Car Car Car 120.001
5 6 8 Car Car Car 119.998
11 5 6 C2 Car Car 119.998
5 6 8 Car Car Car 119.998
6 5 7 Car Car Car 120.001
5 7 9 Car Car Car 120.001
11 5 7 C2 Car Car 120.001
5 7 9 Car Car Car 120.001
6 5 11 Car Car C2 119.998
7 5 11 Car Car C2 120.001
13 8 10 HC Car Car 120.000
8 10 15 Car Car HC 119.998
10 8 13 Car Car HC 120.000
14 9 10 HC Car Car 119.998
9 10 15 Car Car HC 120.001
10 9 14 Car Car HC 119.998
17 12 16 HC C3 HC 90.000
18 12 16 HC C3 HC 179.974
16 12 17 HC C3 HC 90.000
18 12 17 HC C3 HC 90.000
16 12 18 HC C3 HC 179.974
17 12 18 HC C3 HC 90.000
TORSION ANGLES
12 2 6 5 179.974
12 2 6 8 0.026
6 2 12 16 179.974
6 2 12 17 0.026
6 2 12 18 0.026
19 4 11 3 0.026
19 4 11 5 179.974
20 4 11 3 179.974
20 4 11 5 0.026
7 5 6 2 179.974
7 5 6 8 0.026
11 5 6 2 0.026
11 5 6 8 179.974
6 5 7 1 179.974
6 5 7 9 0.026
11 5 7 1 0.026
11 5 7 9 179.974
6 5 11 3 0.026
6 5 11 4 179.974
7 5 11 3 179.974
7 5 11 4 0.026
2 6 8 10 179.974
2 6 8 13 0.026
5 6 8 10 0.026
5 6 8 13 179.974
1 7 9 10 179.974
1 7 9 14 0.026
5 7 9 10 0.026
5 7 9 14 179.974
6 8 10 9 0.026
6 8 10 15 179.974
13 8 10 9 179.974
13 8 10 15 0.026
7 9 10 8 0.026
7 9 10 15 179.974
14 9 10 8 179.974
14 9 10 15 0.026
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