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2-(Pyridin-2-yl)pyridin-3-amine |
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ID: API-28837 CAS:105166-53-8 Supplier:APIchem SMILES:c1(ncccc1N)c1ncccc1 ChemMol.com FORMULA: C10H9N3
MASS: 171.1986
EXACT MASS: 171.0796473
INTERATOMIC DISTANCES
C 1 N 2 C 3 N 4 C 5 N 6
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C 1 0.0000
N 2 1.2471 0.0000
C 3 1.2543 2.1667 0.0000
N 4 2.1708 3.3096 1.2507 0.0000
C 5 1.2500 2.1634 2.1676 2.5050 0.0000
N 6 2.1676 3.3083 2.5000 2.1654 1.2543 0.0000
C 7 2.1625 1.2507 3.3096 4.3333 2.4978 3.7521
C 8 3.3096 4.3292 2.1625 1.2471 3.7521 3.3055
C 9 2.1676 2.5014 1.2500 2.1654 3.3088 3.7500
C 10 2.1634 2.5000 3.3083 3.7521 1.2471 2.1667
C 11 2.4978 2.1654 3.7521 4.5100 2.1625 3.3096
C 12 3.7521 4.5060 2.4978 2.1634 4.5087 4.3288
C 13 3.3109 3.7521 2.1654 2.5000 4.3330 4.5071
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 5.4485 0.0000
C 9 3.7521 2.4978 0.0000
C 10 2.1654 4.9992 4.3309 0.0000
C 11 1.2500 5.7281 4.5087 1.2507 0.0000
C 12 5.7281 1.2500 2.1625 5.7275 6.2499 0.0000
C 13 5.0027 2.1634 1.2507 5.4501 5.7306 1.2471
C 13
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C 13 0.0000
ATOMIC CHARGES
C 1 0.1155170541
N 2 -0.2409499466
C 3 0.1002179177
N 4 -0.2422736683
C 5 0.1081572087
N 6 -0.1264279455
C 7 0.0989775528
C 8 0.0988844354
C 9 0.0207258526
C 10 0.0212358881
C 11 0.0220655315
C 12 0.0206811238
C 13 0.0031889957
BOND ANGLES
10 11 7 Car Car Car 119.982
11 7 2 Car Car Nar 119.982
13 12 8 Car Car Car 120.077
12 8 4 Car Car Nar 120.077
8 12 13 Car Car Car 120.077
12 13 9 Car Car Car 119.941
7 11 10 Car Car Car 119.982
11 10 5 Car Car Car 119.941
TORSION ANGLES
7 2 1 3 179.974
7 2 1 5 0.026
4 3 1 2 179.974
4 3 1 5 0.026
9 3 1 2 0.026
9 3 1 5 179.974
8 4 3 1 179.974
8 4 3 9 0.026
6 5 1 2 179.974
6 5 1 3 0.026
10 5 1 2 0.026
10 5 1 3 179.974
11 7 2 1 0.026
12 8 4 3 0.026
13 9 3 1 179.974
13 9 3 4 0.026
11 10 5 1 0.026
11 10 5 6 179.974
10 11 7 2 0.026
13 12 8 4 0.026
12 13 9 3 0.026
8 12 13 9 0.026
7 11 10 5 0.026
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