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2,3,5,6-Tetrachloropyridine |
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ID: API-45670 CAS:2402-79-1 Supplier:APIchem SMILES:Clc1cc(Cl)c(Cl)nc1Cl ChemMol.com FORMULA: C5HCl4N
MASS: 216.8801
EXACT MASS: 214.8863098
INTERATOMIC DISTANCES
Cl 1 Cl 2 Cl 3 Cl 4 N 5 C 6
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Cl 1 0.0000
Cl 2 3.4641 0.0000
Cl 3 2.0000 4.0000 0.0000
Cl 4 4.0000 2.0000 3.4641 0.0000
N 5 2.6458 2.6457 1.7321 1.7320 0.0000
C 6 1.7321 1.7320 2.6458 2.6457 2.0000 0.0000
C 7 1.0000 2.6458 1.7320 3.0000 1.7321 1.0001
C 8 2.6458 1.0000 3.0000 1.7320 1.7320 1.0000
C 9 1.7320 3.0000 1.0000 2.6458 1.0001 1.7321
C 10 3.0000 1.7320 2.6458 1.0000 1.0000 1.7320
H 11 1.8397 1.8396 3.1408 3.1407 2.6200 0.6200
C 7 C 8 C 9 C 10 H 11
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C 7 0.0000
C 8 1.7321 0.0000
C 9 1.0000 2.0000 0.0000
C 10 2.0000 1.0000 1.7321 0.0000
H 11 1.4158 1.4158 2.2901 2.2901 0.0000
ATOMIC CHARGES
Cl 1 -0.0803709894
Cl 2 -0.0803709894
Cl 3 -0.0604220229
Cl 4 -0.0604220229
N 5 -0.2208638039
C 6 -0.0191576839
C 7 0.0791936252
C 8 0.0791936252
C 9 0.1491848692
C 10 0.1491848692
H 11 0.0648505235
BOND ANGLES
10 5 9 Car Nar Car 120.001
9 5 10 Car Nar Car 120.001
8 6 7 Car Car Car 120.001
6 7 9 Car Car Car 119.998
11 6 7 HC Car Car 119.998
6 7 9 Car Car Car 119.998
7 6 8 Car Car Car 120.001
6 8 10 Car Car Car 120.001
11 6 8 HC Car Car 120.001
6 8 10 Car Car Car 120.001
7 6 11 Car Car HC 119.998
8 6 11 Car Car HC 120.001
TORSION ANGLES
10 5 9 3 179.974
10 5 9 7 0.026
9 5 10 4 179.974
9 5 10 8 0.026
8 6 7 1 179.974
8 6 7 9 0.026
11 6 7 1 0.026
11 6 7 9 179.974
7 6 8 2 179.974
7 6 8 10 0.026
11 6 8 2 0.026
11 6 8 10 179.974
1 7 9 3 0.026
1 7 9 5 179.974
6 7 9 3 179.974
6 7 9 5 0.026
2 8 10 4 0.026
2 8 10 5 179.974
6 8 10 4 179.974
6 8 10 5 0.026
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