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Cyclopentyl chloride |
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ID: API-42861 CAS:930-28-9 Supplier:APIchem SMILES:ClC1CCCC1 ChemMol.com FORMULA: C5H9Cl
MASS: 104.5780
EXACT MASS: 104.0392780
INTERATOMIC DISTANCES
Cl 1 C 2 C 3 C 4 C 5 C 6
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Cl 1 0.0000
C 2 1.0000 0.0000
C 3 1.7820 1.0000 0.0000
C 4 1.7820 1.0000 1.6180 0.0000
C 5 2.5876 1.6180 0.9999 1.6180 0.0000
C 6 2.5876 1.6180 1.6180 0.9999 1.0000 0.0000
H 7 0.9063 0.6200 1.6153 0.9064 2.1026 1.8211
H 8 1.5350 1.1202 0.6201 2.0014 1.6116 2.1989
H 9 2.2972 1.6116 0.6200 2.1989 1.1202 2.0014
H 10 2.2972 1.6116 2.1989 0.6200 2.0014 1.1202
H 11 1.5350 1.1202 2.0014 0.6201 2.1989 1.6116
H 12 2.8880 2.0013 1.1201 2.1988 0.6199 1.6116
H 13 3.1853 2.1989 1.6116 2.0014 0.6200 1.1202
H 14 3.1853 2.1989 2.0014 1.6116 1.1202 0.6200
H 15 2.8881 2.0014 2.1989 1.1201 1.6117 0.6200
H 7 H 8 H 9 H 10 H 11 H 12
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H 7 0.0000
H 8 1.7041 0.0000
H 9 2.2302 0.8297 0.0000
H 10 1.3910 2.6162 2.7508 0.0000
H 11 0.6569 2.2380 2.6162 0.8297 0.0000
H 12 2.5595 1.6169 0.8704 2.6162 2.7508 0.0000
H 13 2.6294 2.2129 1.6169 2.2380 2.6163 0.8297
H 14 2.4397 2.6163 2.2380 1.6169 2.2129 1.6169
H 15 2.0264 2.7509 2.6163 0.8704 1.6169 2.2129
H 13 H 14 H 15
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H 13 0.0000
H 14 0.8704 0.0000
H 15 1.6170 0.8298 0.0000
ATOMIC CHARGES
Cl 1 -0.1217621485
C 2 0.0340024640
C 3 -0.0366901211
C 4 -0.0366901211
C 5 -0.0516908194
C 6 -0.0516908194
H 7 0.0465309429
H 8 0.0279253718
H 9 0.0279253718
H 10 0.0279253718
H 11 0.0279253718
H 12 0.0265722838
H 13 0.0265722838
H 14 0.0265722838
H 15 0.0265722838
BOND ANGLES
4 2 3 C3 C3 C3 107.997
2 3 5 C3 C3 C3 108.001
2 3 8 C3 C3 HC 83.996
2 3 9 C3 C3 HC 167.992
7 2 3 HC C3 C3 171.002
2 3 5 C3 C3 C3 108.001
2 3 8 C3 C3 HC 83.996
2 3 9 C3 C3 HC 167.992
3 2 4 C3 C3 C3 107.997
2 4 6 C3 C3 C3 108.001
2 4 10 C3 C3 HC 167.992
2 4 11 C3 C3 HC 83.996
7 2 4 HC C3 C3 63.004
2 4 6 C3 C3 C3 108.001
2 4 10 C3 C3 HC 167.992
2 4 11 C3 C3 HC 83.996
3 2 7 C3 C3 HC 171.002
4 2 7 C3 C3 HC 63.004
8 3 5 HC C3 C3 168.003
3 5 6 C3 C3 C3 108.000
3 5 12 C3 C3 HC 84.000
3 5 13 C3 C3 HC 167.999
9 3 5 HC C3 C3 84.007
3 5 6 C3 C3 C3 108.000
3 5 12 C3 C3 HC 84.000
3 5 13 C3 C3 HC 167.999
5 3 8 C3 C3 HC 168.003
9 3 8 HC C3 HC 83.996
5 3 9 C3 C3 HC 84.007
8 3 9 HC C3 HC 83.996
10 4 6 HC C3 C3 84.007
4 6 14 C3 C3 HC 167.999
4 6 15 C3 C3 HC 83.999
11 4 6 HC C3 C3 168.003
4 6 14 C3 C3 HC 167.999
4 6 15 C3 C3 HC 83.999
6 4 10 C3 C3 HC 84.007
11 4 10 HC C3 HC 83.996
6 4 11 C3 C3 HC 168.003
10 4 11 HC C3 HC 83.996
12 5 6 HC C3 C3 167.999
5 6 14 C3 C3 HC 84.001
5 6 15 C3 C3 HC 168.001
13 5 6 HC C3 C3 84.001
5 6 14 C3 C3 HC 84.001
5 6 15 C3 C3 HC 168.001
6 5 12 C3 C3 HC 167.999
13 5 12 HC C3 HC 83.999
6 5 13 C3 C3 HC 84.001
12 5 13 HC C3 HC 83.999
15 6 14 HC C3 HC 84.001
14 6 15 HC C3 HC 84.001
TORSION ANGLES
1 2 3 5 179.974
1 2 3 8 0.026
1 2 3 9 0.026
4 2 3 5 0.026
4 2 3 8 179.974
4 2 3 9 179.974
7 2 3 5 0.026
7 2 3 8 179.974
7 2 3 9 179.974
1 2 4 6 179.974
1 2 4 10 0.026
1 2 4 11 0.026
3 2 4 6 0.026
3 2 4 10 179.974
3 2 4 11 179.974
7 2 4 6 179.974
7 2 4 10 0.026
7 2 4 11 0.026
2 3 5 6 0.026
2 3 5 12 179.974
2 3 5 13 179.974
8 3 5 6 179.974
8 3 5 12 0.026
8 3 5 13 0.026
9 3 5 6 179.974
9 3 5 12 0.026
9 3 5 13 0.026
2 4 6 5 0.026
2 4 6 14 179.974
2 4 6 15 179.974
10 4 6 5 179.974
10 4 6 14 0.026
10 4 6 15 0.026
11 4 6 5 179.974
11 4 6 14 0.026
11 4 6 15 0.026
3 5 6 4 0.026
3 5 6 14 179.974
3 5 6 15 179.974
12 5 6 4 179.974
12 5 6 14 0.026
12 5 6 15 0.026
13 5 6 4 179.974
13 5 6 14 0.026
13 5 6 15 0.026
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