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N-(2-Chlorobenzyl)-N-methylamine |
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ID: API-42888 CAS:932-32-1 Supplier:APIchem SMILES:Clc1c(CNC)cccc1 ChemMol.com FORMULA: C8H10ClN
MASS: 155.6247
EXACT MASS: 155.0501770
INTERATOMIC DISTANCES
Cl 1 N 2 C 3 C 4 C 5 C 6
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Cl 1 0.0000
N 2 3.0000 0.0000
C 3 2.0000 1.0001 0.0000
C 4 1.7320 1.7321 1.0000 0.0000
C 5 1.0000 2.6458 1.7320 1.0000 0.0000
C 6 2.6458 2.0000 1.7321 1.0001 1.7321 0.0000
C 7 1.7320 3.4641 2.6457 1.7320 1.0000 2.0000
C 8 3.0000 3.0000 2.6458 1.7321 2.0000 1.0000
C 9 2.6457 3.6056 3.0000 2.0000 1.7320 1.7321
C 10 3.6056 1.0000 1.7321 2.6458 3.4641 3.0000
H 11 2.1943 1.0813 0.6200 1.5967 2.1829 2.3451
H 12 1.4332 1.5968 0.6199 1.0812 1.4155 2.0295
H 13 3.1408 1.7732 1.8397 1.4158 2.2901 0.6200
H 14 3.3533 0.6200 1.4158 1.8397 2.8292 1.7732
H 15 1.8397 4.0130 3.1407 2.2900 1.4158 2.6200
H 16 3.6200 3.3533 3.1408 2.2901 2.6200 1.4158
H 17 3.1407 4.2101 3.6200 2.6200 2.2901 2.2901
H 18 4.0751 1.1766 2.1115 2.9083 3.8121 3.0634
H 19 4.0601 1.6200 2.2901 3.2380 4.0131 3.6200
H 20 3.1879 1.1766 1.5201 2.5121 3.1995 3.0634
C 7 C 8 C 9 C 10 H 11 H 12
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C 7 0.0000
C 8 1.7321 0.0000
C 9 1.0000 1.0001 0.0000
C 10 4.3589 4.0000 4.5826 0.0000
H 11 3.1512 3.2657 3.5889 1.4156 0.0000
H 12 2.4059 2.8113 2.9560 2.1829 0.7971 0.0000
H 13 2.6200 1.4158 2.2901 2.7431 2.3980 2.2859
H 14 3.5192 2.7431 3.4849 1.4158 1.6620 2.0354
H 15 0.6200 2.2901 1.4157 4.8708 3.5955 2.8161
H 16 2.2901 0.6200 1.4158 4.3433 3.7574 3.3700
H 17 1.4158 1.4158 0.6200 5.1927 4.2079 3.5650
H 18 4.6403 4.0478 4.7390 0.6200 1.9301 2.6421
H 19 4.9340 4.6200 5.1927 0.6200 1.8777 2.6726
H 20 4.1517 4.0478 4.5067 0.6200 1.0254 1.8217
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 1.3800 0.0000
H 15 3.2400 4.1077 0.0000
H 16 1.6200 3.0000 2.8059 0.0000
H 17 2.8059 4.0601 1.6199 1.6200 0.0000
H 18 2.6913 1.3126 5.1887 4.3108 5.3313 0.0000
H 19 3.3533 2.0033 5.4271 4.9591 5.8050 0.8768
H 20 2.9282 1.7477 4.6147 4.4626 5.1259 1.2400
H 19 H 20
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H 19 0.0000
H 20 0.8768 0.0000
ATOMIC CHARGES
Cl 1 -0.0832169676
N 2 -0.3149665190
C 3 0.0223422674
C 4 -0.0152992300
C 5 0.0453627816
C 6 -0.0559629167
C 7 -0.0430811778
C 8 -0.0613745117
C 9 -0.0603630757
C 10 -0.0154907424
H 11 0.0473775007
H 12 0.0473775007
H 13 0.0621135029
H 14 0.1219454331
H 15 0.0632157844
H 16 0.0617680107
H 17 0.0618015597
H 18 0.0388169332
H 19 0.0388169332
H 20 0.0388169332
BOND ANGLES
10 2 3 C3 N3 C3 119.998
2 3 4 N3 C3 Car 119.998
2 3 11 N3 C3 HC 79.998
2 3 12 N3 C3 HC 160.007
14 2 3 HC N3 C3 120.000
2 3 4 N3 C3 Car 119.998
2 3 11 N3 C3 HC 79.998
2 3 12 N3 C3 HC 160.007
3 2 10 C3 N3 C3 119.998
2 10 18 N3 C3 HC 90.000
2 10 19 N3 C3 HC 179.974
2 10 20 N3 C3 HC 90.000
14 2 10 HC N3 C3 120.002
2 10 18 N3 C3 HC 90.000
2 10 19 N3 C3 HC 179.974
2 10 20 N3 C3 HC 90.000
3 2 14 C3 N3 HC 120.000
10 2 14 C3 N3 HC 120.002
11 3 4 HC C3 Car 160.004
3 4 5 C3 Car Car 120.001
3 4 6 C3 Car Car 119.998
12 3 4 HC C3 Car 79.995
3 4 5 C3 Car Car 120.001
3 4 6 C3 Car Car 119.998
4 3 11 Car C3 HC 160.004
12 3 11 HC C3 HC 80.009
4 3 12 Car C3 HC 79.995
11 3 12 HC C3 HC 80.009
6 4 5 Car Car Car 120.001
4 5 7 Car Car Car 120.001
5 4 6 Car Car Car 120.001
4 6 8 Car Car Car 119.998
4 6 13 Car Car HC 120.000
13 6 8 HC Car Car 120.002
6 8 9 Car Car Car 119.998
6 8 16 Car Car HC 120.002
8 6 13 Car Car HC 120.002
15 7 9 HC Car Car 119.998
7 9 17 Car Car HC 120.001
9 7 15 Car Car HC 119.998
16 8 9 HC Car Car 120.000
8 9 17 Car Car HC 119.998
9 8 16 Car Car HC 120.000
19 10 18 HC C3 HC 90.000
20 10 18 HC C3 HC 179.974
18 10 19 HC C3 HC 90.000
20 10 19 HC C3 HC 90.000
18 10 20 HC C3 HC 179.974
19 10 20 HC C3 HC 90.000
TORSION ANGLES
10 2 3 4 179.974
10 2 3 11 0.026
10 2 3 12 0.026
14 2 3 4 0.026
14 2 3 11 179.974
14 2 3 12 179.974
3 2 10 18 179.974
3 2 10 19 180.000
3 2 10 20 0.026
14 2 10 18 0.026
14 2 10 19 180.000
14 2 10 20 179.974
2 3 4 5 179.974
2 3 4 6 0.026
11 3 4 5 0.026
11 3 4 6 179.974
12 3 4 5 0.026
12 3 4 6 179.974
3 4 5 1 0.026
3 4 5 7 179.974
6 4 5 1 179.974
6 4 5 7 0.026
3 4 6 8 179.974
3 4 6 13 0.026
5 4 6 8 0.026
5 4 6 13 179.974
1 5 7 9 179.974
1 5 7 15 0.026
4 5 7 9 0.026
4 5 7 15 179.974
4 6 8 9 0.026
4 6 8 16 179.974
13 6 8 9 179.974
13 6 8 16 0.026
5 7 9 8 0.026
5 7 9 17 179.974
15 7 9 8 179.974
15 7 9 17 0.026
6 8 9 7 0.026
6 8 9 17 179.974
16 8 9 7 179.974
16 8 9 17 0.026
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