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2-Amino-4,6-dichlorotriazine |
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ID: API-42898 CAS:933-20-0 Supplier:APIchem SMILES:Clc1nc(nc(Cl)n1)N ChemMol.com FORMULA: C3H2Cl2N4
MASS: 164.9808
EXACT MASS: 163.9656514
INTERATOMIC DISTANCES
Cl 1 Cl 2 N 3 N 4 N 5 N 6
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Cl 1 0.0000
Cl 2 3.4641 0.0000
N 3 3.0000 1.7320 0.0000
N 4 1.7320 2.9999 1.7320 0.0000
N 5 1.7320 1.7320 1.7320 1.7320 0.0000
N 6 3.4641 3.4641 1.7321 1.7321 3.0000 0.0000
C 7 2.6457 2.6457 1.0000 1.0000 2.0000 1.0001
C 8 1.0000 2.6457 2.0000 1.0000 1.0000 2.6458
C 9 2.6457 1.0000 1.0000 2.0000 1.0000 2.6458
H 10 3.5192 4.0130 2.2901 1.8397 3.3533 0.6200
H 11 4.0131 3.5191 1.8397 2.2901 3.3533 0.6200
C 7 C 8 C 9 H 10 H 11
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C 7 0.0000
C 8 1.7320 0.0000
C 9 1.7320 1.7320 0.0000
H 10 1.4158 2.8292 3.1408 0.0000
H 11 1.4158 3.1408 2.8292 1.0739 0.0000
ATOMIC CHARGES
Cl 1 -0.0408847452
Cl 2 -0.0408847452
N 3 -0.1842333327
N 4 -0.1842333327
N 5 -0.1870312575
N 6 -0.3273365702
C 7 0.2177801975
C 8 0.2282560015
C 9 0.2282560015
H 10 0.1451558915
H 11 0.1451558915
BOND ANGLES
9 3 7 Car Nar Car 119.999
7 3 9 Car Nar Car 119.999
8 4 7 Car Nar Car 120.001
7 4 8 Car Nar Car 120.001
9 5 8 Car Nar Car 120.001
8 5 9 Car Nar Car 120.001
10 6 7 HC Npl Car 120.000
11 6 7 HC Npl Car 119.998
7 6 10 Car Npl HC 120.000
11 6 10 HC Npl HC 120.002
7 6 11 Car Npl HC 119.998
10 6 11 HC Npl HC 120.002
TORSION ANGLES
9 3 7 4 0.026
9 3 7 6 179.974
7 3 9 2 179.974
7 3 9 5 0.026
8 4 7 3 0.026
8 4 7 6 179.974
7 4 8 1 179.974
7 4 8 5 0.026
9 5 8 1 179.974
9 5 8 4 0.026
8 5 9 2 179.974
8 5 9 3 0.026
10 6 7 3 179.974
10 6 7 4 0.026
11 6 7 3 0.026
11 6 7 4 179.974
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