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5-Fluoroindoline |
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ID: API-45552 CAS:2343-22-8 Supplier:APIchem SMILES:c1(ccc2c(c1)CCN2)F ChemMol.com FORMULA: C8H8FN
MASS: 137.1542
EXACT MASS: 137.0640775
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 1.4017 0.0000
C 3 2.4241 1.3983 0.0000
C 4 1.3941 2.4234 2.8003 0.0000
C 5 2.4180 2.7995 2.4293 1.3962 0.0000
C 6 2.7913 2.4201 1.4008 2.4189 1.4000 0.0000
N 7 4.1710 3.7757 2.5557 3.5847 2.2653 1.4001
C 8 4.6250 4.6291 3.6464 3.6434 2.2654 2.2656
C 9 3.7749 4.1784 3.5923 2.5566 1.3999 2.2653
F 10 1.3975 2.4231 3.7002 2.4164 3.6939 4.1887
N 7 C 8 C 9 F 10
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N 7 0.0000
C 8 1.4002 0.0000
C 9 2.2653 1.4001 0.0000
F 10 5.5659 5.9483 4.9665 0.0000
ATOMIC CHARGES
C 1 0.1399140743
C 2 0.0309366523
C 3 0.0180696753
C 4 0.0266992323
C 5 -0.0033333451
C 6 0.0615171409
N 7 -0.2375620905
C 8 0.1168994366
C 9 0.0510404206
F 10 -0.2041811967
BOND ANGLES
4 5 6 Car Car Car 119.780
5 6 7 Car Car Npl 107.997
10 1 2 F Car Car 119.915
1 2 3 Car Car Car 119.933
6 5 4 Car Car Car 119.780
5 4 1 Car Car Car 120.125
2 1 10 Car Car F 119.915
TORSION ANGLES
4 5 6 3 0.026
4 5 6 7 179.974
9 5 6 3 179.974
9 5 6 7 0.026
1 2 3 6 0.026
2 3 6 5 0.026
2 3 6 7 179.974
4 1 2 3 0.026
10 1 2 3 179.974
6 5 4 1 0.026
9 5 4 1 179.974
5 6 7 8 0.026
3 6 7 8 179.974
6 7 8 9 0.026
7 8 9 5 0.026
8 9 5 6 0.026
8 9 5 4 179.974
5 4 1 2 0.026
5 4 1 10 179.974
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