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2-Amino-4-Methyl-5-Nitro pyridine |
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ID: API-9481 CAS:21901-40-6 Supplier:APIchem SMILES:[O-][N+](=O)c1c(cc(nc1)N)C ChemMol.com FORMULA: C6H7N3O2
MASS: 153.1387
EXACT MASS: 153.0538265
INTERATOMIC DISTANCES
O 1 O 2 N 3 N 4 N 5 C 6
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O 1 0.0000
O 2 1.7321 0.0000
N 3 3.0000 3.4641 0.0000
N 4 1.0001 1.0000 2.6457 0.0000
N 5 4.5826 4.5826 1.7321 4.0000 0.0000
C 6 2.6458 2.0000 2.0000 1.7320 2.6458 0.0000
C 7 1.7321 1.7320 1.7320 1.0000 3.0000 1.0000
C 8 3.4641 2.9999 1.7320 2.6457 1.7321 1.0000
C 9 3.0000 1.7320 3.0000 2.0000 3.4641 1.0000
C 10 3.6055 3.6055 1.0000 2.9999 1.0001 1.7320
C 11 2.0000 2.6457 1.0000 1.7320 2.6458 1.7320
H 12 4.0131 3.3533 2.2901 3.1408 1.8397 1.4158
H 13 2.4825 1.1120 3.0634 1.4955 3.8121 1.1766
H 14 3.3533 1.8396 3.6200 2.3715 4.0131 1.6200
H 15 3.5505 2.3520 3.0634 2.5558 3.1995 1.1766
H 16 1.7732 2.8292 1.4158 1.8397 3.1409 2.2901
H 17 4.8213 5.0104 1.8397 4.3433 0.6200 3.1408
H 18 5.0105 4.8212 2.2901 4.3433 0.6200 2.8292
C 7 C 8 C 9 C 10 C 11 H 12
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C 7 0.0000
C 8 1.7320 0.0000
C 9 1.7320 1.7320 0.0000
C 10 2.0000 1.0000 2.6457 0.0000
C 11 1.0000 2.0000 2.6457 1.7320 0.0000
H 12 2.2901 0.6201 1.8397 1.4158 2.6200 0.0000
H 13 1.5200 2.1114 0.6200 2.9083 2.5121 2.3470
H 14 2.2901 2.2901 0.6200 3.2380 3.2380 2.2901
H 15 2.1114 1.5200 0.6200 2.5121 2.9083 1.4245
H 16 1.4158 2.6200 3.1408 2.2901 0.6201 3.2401
H 17 3.3533 2.2901 4.0131 1.4158 2.8292 2.4522
H 18 3.3533 1.8397 3.5192 1.4158 3.1408 1.7320
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 0.8768 0.0000
H 15 1.2400 0.8768 0.0000
H 16 2.9171 3.7058 3.4625 0.0000
H 17 4.3170 4.5801 3.7870 3.2380 0.0000
H 18 3.9475 4.0130 3.1552 3.6740 1.0739 0.0000
ATOMIC CHARGES
O 1 -0.5759917976
O 2 0.0415005628
N 3 -0.2339841877
N 4 0.0814542893
N 5 -0.3431254279
C 6 0.0314020694
C 7 0.2939873816
C 8 -0.0127556631
C 9 -0.0331281010
C 10 0.1168028508
C 11 0.1069146052
H 12 0.0656454179
H 13 0.0279664592
H 14 0.0279664592
H 15 0.0279664592
H 16 0.0899651242
H 17 0.1437067493
H 18 0.1437067493
BOND ANGLES
11 3 10 Car Nar Car 119.999
10 3 11 Car Nar Car 119.999
3 11 16 Nar Car HC 120.002
17 5 10 HC Npl Car 119.998
18 5 10 HC Npl Car 120.000
10 5 17 Car Npl HC 119.998
18 5 17 HC Npl HC 120.002
10 5 18 Car Npl HC 120.000
17 5 18 HC Npl HC 120.002
8 6 7 Car Car Car 119.999
6 7 11 Car Car Car 120.001
9 6 7 C3 Car Car 120.001
6 7 11 Car Car Car 120.001
7 6 8 Car Car Car 119.999
6 8 10 Car Car Car 120.001
6 8 12 Car Car HC 120.002
9 6 8 C3 Car Car 120.001
6 8 10 Car Car Car 120.001
6 8 12 Car Car HC 120.002
7 6 9 Car Car C3 120.001
6 9 13 Car C3 HC 90.000
6 9 14 Car C3 HC 179.974
6 9 15 Car C3 HC 90.000
8 6 9 Car Car C3 120.001
6 9 13 Car C3 HC 90.000
6 9 14 Car C3 HC 179.974
6 9 15 Car C3 HC 90.000
12 8 10 HC Car Car 119.997
10 8 12 Car Car HC 119.997
14 9 13 HC C3 HC 90.000
15 9 13 HC C3 HC 179.974
13 9 14 HC C3 HC 90.000
15 9 14 HC C3 HC 90.000
13 9 15 HC C3 HC 179.974
14 9 15 HC C3 HC 90.000
TORSION ANGLES
11 3 10 5 179.974
11 3 10 8 0.026
10 3 11 7 0.026
10 3 11 16 179.974
1 4 7 6 179.974
1 4 7 11 0.026
2 4 7 6 0.026
2 4 7 11 179.974
17 5 10 3 0.026
17 5 10 8 179.974
18 5 10 3 179.974
18 5 10 8 0.026
8 6 7 4 179.974
8 6 7 11 0.026
9 6 7 4 0.026
9 6 7 11 179.974
7 6 8 10 0.026
7 6 8 12 179.974
9 6 8 10 179.974
9 6 8 12 0.026
7 6 9 13 0.026
7 6 9 14 180.000
7 6 9 15 179.974
8 6 9 13 179.974
8 6 9 14 180.000
8 6 9 15 0.026
4 7 11 3 179.974
4 7 11 16 0.026
6 7 11 3 0.026
6 7 11 16 179.974
6 8 10 3 0.026
6 8 10 5 179.974
12 8 10 3 179.974
12 8 10 5 0.026
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