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2-AMINO-4-METHYL-5-NITROPYRIDINE
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ID: BP-10511
CAS:21901-40-6 Supplier:BroadPharm SMILES:[N+](=O)(c1c(cc(nc1)N)C)[O-] FORMULA: C6H7N3O2
MASS: 153.1387
EXACT MASS: 153.0538265
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 N 5 C 6
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N 1 0.0000
C 2 1.4526 0.0000
C 3 2.4930 1.4181 0.0000
C 4 2.5044 1.4505 2.4871 0.0000
N 5 3.7928 2.4710 2.8535 1.4152 0.0000
C 6 4.3026 2.8500 2.4634 2.4788 1.4423 0.0000
O 7 1.4203 2.4858 2.8796 3.8028 4.9566 5.1624
O 8 1.4386 2.5032 3.8014 2.8791 4.2943 5.1689
C 9 3.7906 2.4582 1.4187 2.8603 2.4744 1.4191
N 10 5.7552 4.3026 3.7901 3.8048 2.5101 1.4526
C 11 2.8660 2.4666 1.4353 3.7977 4.2888 3.7754
O 7 O 8 C 9 N 10 C 11
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O 7 0.0000
O 8 2.4788 0.0000
C 9 4.2983 4.9614 0.0000
N 10 6.5812 6.5889 2.4877 0.0000
C 11 2.4928 4.3045 2.4747 4.9622 0.0000
ATOMIC CHARGES
N 1 0.0822213696
C 2 0.3049922278
C 3 0.0519710921
C 4 0.1750778751
N 5 -0.2194888008
C 6 0.1698184468
O 7 -0.5759744241
O 8 0.0415223753
C 9 0.0394490879
N 10 -0.1072101645
C 11 0.0376209149
BOND ANGLES
9 6 5 Car Car Nar 119.710
6 5 4 Car Nar Car 120.332
5 6 9 Nar Car Car 119.710
6 9 3 Car Car Car 120.473
TORSION ANGLES
3 2 1 7 0.026
3 2 1 8 179.974
4 2 1 7 179.974
4 2 1 8 0.026
9 3 2 1 179.974
9 3 2 4 0.026
11 3 2 1 0.026
11 3 2 4 179.974
5 4 2 1 179.974
5 4 2 3 0.026
6 5 4 2 0.026
10 6 5 4 179.974
9 6 5 4 0.026
6 9 3 2 0.026
6 9 3 11 179.974
5 6 9 3 0.026
10 6 9 3 179.974
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