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1-Chloro-1-cyclopentene |
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ID: API-42862 CAS:930-29-0 Supplier:APIchem SMILES:ClC1=CCCC1 ChemMol.com FORMULA: C5H7Cl
MASS: 102.5621
EXACT MASS: 102.0236279
INTERATOMIC DISTANCES
Cl 1 C 2 C 3 C 4 C 5 C 6
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Cl 1 0.0000
C 2 2.5876 0.0000
C 3 1.7820 0.9999 0.0000
C 4 2.5876 1.0000 1.6180 0.0000
C 5 1.0000 1.6180 1.0000 1.6180 0.0000
C 6 1.7820 1.6180 1.6180 0.9999 1.0000 0.0000
H 7 3.1853 0.6200 1.6116 1.1202 2.1989 2.0014
H 8 2.8881 0.6200 1.1201 1.6117 2.0014 2.1989
H 9 2.2972 1.1202 0.6200 2.0014 1.6116 2.1989
H 10 1.5350 1.6116 0.6201 2.1989 1.1202 2.0014
H 11 2.8880 1.6116 2.1988 0.6199 2.0013 1.1201
H 12 3.1853 1.1202 2.0014 0.6200 2.1989 1.6116
H 13 1.9763 2.2160 2.2160 1.4537 1.4537 0.6200
H 7 H 8 H 9 H 10 H 11 H 12
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H 7 0.0000
H 8 0.8298 0.0000
H 9 1.6169 0.8704 0.0000
H 10 2.2129 1.6169 0.8297 0.0000
H 11 1.6169 2.2129 2.6162 2.7508 0.0000
H 12 0.8704 1.6170 2.2380 2.6163 0.8297 0.0000
H 13 2.5413 2.8094 2.8094 2.5413 1.3047 2.0058
H 13
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H 13 0.0000
ATOMIC CHARGES
Cl 1 -0.0885424130
C 2 -0.0447816926
C 3 -0.0170470734
C 4 -0.0330855187
C 5 0.0146211490
C 6 -0.0697060751
H 7 0.0271593655
H 8 0.0271593655
H 9 0.0321661603
H 10 0.0321661603
H 11 0.0307845391
H 12 0.0307845391
H 13 0.0583214940
BOND ANGLES
4 2 3 C3 C3 C3 108.000
2 3 5 C3 C3 C2 108.001
2 3 9 C3 C3 HC 84.007
2 3 10 C3 C3 HC 168.003
7 2 3 HC C3 C3 167.999
2 3 5 C3 C3 C2 108.001
2 3 9 C3 C3 HC 84.007
2 3 10 C3 C3 HC 168.003
8 2 3 HC C3 C3 83.999
2 3 5 C3 C3 C2 108.001
2 3 9 C3 C3 HC 84.007
2 3 10 C3 C3 HC 168.003
3 2 4 C3 C3 C3 108.000
2 4 6 C3 C3 C2 108.000
2 4 11 C3 C3 HC 167.999
2 4 12 C3 C3 HC 84.001
7 2 4 HC C3 C3 84.001
2 4 6 C3 C3 C2 108.000
2 4 11 C3 C3 HC 167.999
2 4 12 C3 C3 HC 84.001
8 2 4 HC C3 C3 168.001
2 4 6 C3 C3 C2 108.000
2 4 11 C3 C3 HC 167.999
2 4 12 C3 C3 HC 84.001
3 2 7 C3 C3 HC 167.999
4 2 7 C3 C3 HC 84.001
8 2 7 HC C3 HC 84.001
3 2 8 C3 C3 HC 83.999
4 2 8 C3 C3 HC 168.001
7 2 8 HC C3 HC 84.001
9 3 5 HC C3 C2 167.992
3 5 6 C3 C2 C2 107.997
10 3 5 HC C3 C2 83.996
3 5 6 C3 C2 C2 107.997
5 3 9 C2 C3 HC 167.992
10 3 9 HC C3 HC 83.996
5 3 10 C2 C3 HC 83.996
9 3 10 HC C3 HC 83.996
11 4 6 HC C3 C2 84.000
4 6 13 C3 C2 HC 126.000
12 4 6 HC C3 C2 167.999
4 6 13 C3 C2 HC 126.000
6 4 11 C2 C3 HC 84.000
12 4 11 HC C3 HC 83.999
6 4 12 C2 C3 HC 167.999
11 4 12 HC C3 HC 83.999
TORSION ANGLES
4 2 3 5 0.026
4 2 3 9 179.974
4 2 3 10 179.974
7 2 3 5 179.974
7 2 3 9 0.026
7 2 3 10 0.026
8 2 3 5 179.974
8 2 3 9 0.026
8 2 3 10 0.026
3 2 4 6 0.026
3 2 4 11 179.974
3 2 4 12 179.974
7 2 4 6 179.974
7 2 4 11 0.026
7 2 4 12 0.026
8 2 4 6 179.974
8 2 4 11 0.026
8 2 4 12 0.026
2 3 5 1 179.974
2 3 5 6 0.026
9 3 5 1 0.026
9 3 5 6 179.974
10 3 5 1 0.026
10 3 5 6 179.974
2 4 6 5 0.026
2 4 6 13 179.974
11 4 6 5 179.974
11 4 6 13 0.026
12 4 6 5 179.974
12 4 6 13 0.026
1 5 6 4 179.974
1 5 6 13 0.026
3 5 6 4 0.026
3 5 6 13 179.974
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