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3,6-Dichloropyridazine |
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ID: API-38714 CAS:141-30-0 Supplier:APIchem SMILES:Clc1nnc(Cl)cc1 ChemMol.com FORMULA: C4H2Cl2N2
MASS: 148.9781
EXACT MASS: 147.9595034
INTERATOMIC DISTANCES
Cl 1 Cl 2 N 3 N 4 C 5 C 6
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Cl 1 0.0000
Cl 2 4.0000 0.0000
N 3 1.7320 2.6458 0.0000
N 4 2.6458 1.7320 1.0001 0.0000
C 5 1.7320 2.6458 1.7320 2.0000 0.0000
C 6 2.6457 1.7321 2.0000 1.7321 1.0000 0.0000
C 7 1.0000 3.0000 1.0000 1.7321 1.0000 1.7320
C 8 3.0000 1.0000 1.7321 1.0000 1.7321 1.0001
H 9 1.8397 3.1408 2.2900 2.6200 0.6200 1.4157
H 10 3.1407 1.8397 2.6200 2.2901 1.4158 0.6200
C 7 C 8 H 9 H 10
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C 7 0.0000
C 8 2.0000 0.0000
H 9 1.4158 2.2901 0.0000
H 10 2.2901 1.4158 1.6199 0.0000
ATOMIC CHARGES
Cl 1 -0.0601076169
Cl 2 -0.0601076169
N 3 -0.1362409805
N 4 -0.1362409805
C 5 -0.0201360781
C 6 -0.0201360781
C 7 0.1515724587
C 8 0.1515724587
H 9 0.0649122168
H 10 0.0649122168
BOND ANGLES
7 3 4 Car Nar Nar 120.001
3 4 8 Nar Nar Car 119.998
4 3 7 Nar Nar Car 120.001
7 5 6 Car Car Car 120.001
5 6 8 Car Car Car 120.001
5 6 10 Car Car HC 120.001
9 5 6 HC Car Car 119.998
5 6 8 Car Car Car 120.001
5 6 10 Car Car HC 120.001
6 5 7 Car Car Car 120.001
9 5 7 HC Car Car 120.002
6 5 9 Car Car HC 119.998
7 5 9 Car Car HC 120.002
10 6 8 HC Car Car 119.998
8 6 10 Car Car HC 119.998
TORSION ANGLES
7 3 4 8 0.026
4 3 7 1 179.974
4 3 7 5 0.026
3 4 8 2 179.974
3 4 8 6 0.026
7 5 6 8 0.026
7 5 6 10 179.974
9 5 6 8 179.974
9 5 6 10 0.026
6 5 7 1 179.974
6 5 7 3 0.026
9 5 7 1 0.026
9 5 7 3 179.974
5 6 8 2 179.974
5 6 8 4 0.026
10 6 8 2 0.026
10 6 8 4 179.974
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