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7-Methylimidazo[1,2-a]pyridine |
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ID: API-42708 CAS:874-39-5 Supplier:APIchem SMILES:n12c(ncc2)cc(cc1)C ChemMol.com FORMULA: C8H8N2
MASS: 132.1625
EXACT MASS: 132.0687483
INTERATOMIC DISTANCES
N 1 N 2 C 3 C 4 C 5 C 6
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N 1 0.0000
N 2 1.6117 0.0000
C 3 1.0000 0.9941 0.0000
C 4 2.0000 2.6956 1.7321 0.0000
C 5 1.7321 1.8228 1.0001 1.0000 0.0000
C 6 1.0001 2.5576 1.7321 1.7320 2.0000 0.0000
C 7 1.7321 2.9792 2.0000 1.0000 1.7320 1.0000
C 8 0.9941 1.6094 1.6117 2.9792 2.5576 1.8228
C 9 3.0000 3.5497 2.6458 1.0000 1.7320 2.6457
C 10 1.6094 0.9940 1.6094 3.3000 2.5962 2.5962
H 11 2.2901 1.9872 1.4158 1.4158 0.6200 2.6200
H 12 1.4158 3.0271 2.2901 2.2901 2.6200 0.6200
H 13 2.2901 3.5979 2.6200 1.4158 2.2900 1.4157
H 14 1.4478 2.2071 2.2100 3.4394 3.1226 2.0432
H 15 3.0634 3.8694 2.9083 1.1766 2.1114 2.5121
H 16 3.6200 4.1124 3.2380 1.6199 2.2900 3.2379
H 17 3.0634 3.3161 2.5121 1.1766 1.5200 2.9083
H 18 2.2072 1.4478 2.2072 3.9140 3.1774 3.1774
C 7 C 8 C 9 C 10 H 11 H 12
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C 7 0.0000
C 8 2.6956 0.0000
C 9 1.7320 3.9773 0.0000
C 10 3.3000 0.9940 4.2473 0.0000
H 11 2.2901 3.0271 1.8396 2.8922 0.0000
H 12 1.4158 1.9872 3.1407 2.8922 3.2400 0.0000
H 13 0.6200 3.2152 1.8397 3.8842 2.8059 1.6199
H 14 3.0069 0.6200 4.4380 1.4478 3.6199 2.0176
H 15 1.5200 4.0575 0.6200 4.4620 2.3470 2.9170
H 16 2.2900 4.5965 0.6200 4.8453 2.2900 3.7058
H 17 2.1114 3.9930 0.6200 4.1156 1.4244 3.4624
H 18 3.9140 1.4478 4.8521 0.6200 3.4235 3.4235
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 3.4575 0.0000
H 15 1.4245 4.4527 0.0000
H 16 2.2901 5.0574 0.8768 0.0000
H 17 2.3470 4.5093 1.2399 0.8768 0.0000
H 18 4.4924 1.7220 5.0791 5.4447 4.6965 0.0000
ATOMIC CHARGES
N 1 -0.3065901651
N 2 -0.2361166701
C 3 0.1377356195
C 4 -0.0456121624
C 5 -0.0158885379
C 6 0.0114199624
C 7 -0.0421451452
C 8 0.0292508998
C 9 -0.0395495386
C 10 0.0464035904
H 11 0.0656724243
H 12 0.0813181999
H 13 0.0634764514
H 14 0.0828526968
H 15 0.0277552548
H 16 0.0277552548
H 17 0.0277552548
H 18 0.0845066103
BOND ANGLES
6 1 3 Car Nar Car 119.998
1 3 5 Nar Car Car 119.998
8 1 3 Car Nar Car 107.850
1 3 5 Nar Car Car 119.998
3 1 6 Car Nar Car 119.998
1 6 7 Nar Car Car 120.001
1 6 12 Nar Car HC 119.998
8 1 6 Car Nar Car 132.152
1 6 7 Nar Car Car 120.001
1 6 12 Nar Car HC 119.998
3 1 8 Car Nar Car 107.850
1 8 10 Nar Car Car 108.101
1 8 14 Nar Car HC 125.949
6 1 8 Car Nar Car 132.152
1 8 10 Nar Car Car 108.101
1 8 14 Nar Car HC 125.949
10 2 3 Car Nar Car 108.101
2 3 5 Nar Car Car 132.152
3 2 10 Car Nar Car 108.101
2 10 18 Nar Car HC 125.951
7 4 5 Car Car Car 120.001
4 5 11 Car Car HC 120.001
9 4 5 C3 Car Car 119.999
4 5 11 Car Car HC 120.001
5 4 7 Car Car Car 120.001
4 7 13 Car Car HC 120.002
9 4 7 C3 Car Car 120.001
4 7 13 Car Car HC 120.002
5 4 9 Car Car C3 119.999
4 9 15 Car C3 HC 90.001
4 9 16 Car C3 HC 179.974
4 9 17 Car C3 HC 89.999
7 4 9 Car Car C3 120.001
4 9 15 Car C3 HC 90.001
4 9 16 Car C3 HC 179.974
4 9 17 Car C3 HC 89.999
12 6 7 HC Car Car 120.001
6 7 13 Car Car HC 119.998
7 6 12 Car Car HC 120.001
14 8 10 HC Car Car 125.950
8 10 18 Car Car HC 125.951
10 8 14 Car Car HC 125.950
16 9 15 HC C3 HC 90.000
17 9 15 HC C3 HC 179.974
15 9 16 HC C3 HC 90.000
17 9 16 HC C3 HC 90.000
15 9 17 HC C3 HC 179.974
16 9 17 HC C3 HC 90.000
TORSION ANGLES
6 1 3 2 179.974
6 1 3 5 0.026
8 1 3 2 0.026
8 1 3 5 179.974
3 1 6 7 0.026
3 1 6 12 179.974
8 1 6 7 179.974
8 1 6 12 0.026
3 1 8 10 0.026
3 1 8 14 179.974
6 1 8 10 179.974
6 1 8 14 0.026
10 2 3 1 0.026
10 2 3 5 179.974
3 2 10 8 0.026
3 2 10 18 179.974
1 3 5 4 0.026
1 3 5 11 179.974
2 3 5 4 179.974
2 3 5 11 0.026
7 4 5 3 0.026
7 4 5 11 179.974
9 4 5 3 179.974
9 4 5 11 0.026
5 4 7 6 0.026
5 4 7 13 179.974
9 4 7 6 179.974
9 4 7 13 0.026
5 4 9 15 179.974
5 4 9 16 0.026
5 4 9 17 0.026
7 4 9 15 0.026
7 4 9 16 179.974
7 4 9 17 179.974
1 6 7 4 0.026
1 6 7 13 179.974
12 6 7 4 179.974
12 6 7 13 0.026
1 8 10 2 0.026
1 8 10 18 179.974
14 8 10 2 179.974
14 8 10 18 0.026
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