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7-Fluoroindole |
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ID: API-39497 CAS:387-44-0 Supplier:APIchem SMILES:Fc1c2[nH]ccc2ccc1 ChemMol.com FORMULA: C8H6FN
MASS: 135.1383
EXACT MASS: 135.0484274
INTERATOMIC DISTANCES
F 1 N 2 C 3 C 4 C 5 C 6
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F 1 0.0000
N 2 2.1710 0.0000
C 3 1.7320 0.9941 0.0000
C 4 2.6457 1.6117 1.0000 0.0000
C 5 3.3393 1.6094 1.6117 0.9941 0.0000
C 6 1.0000 1.8228 1.0000 1.7320 2.5576 0.0000
C 7 3.0000 2.5576 1.7320 1.0000 1.8228 2.0000
C 8 3.1210 0.9940 1.6095 1.6095 0.9940 2.5962
C 9 1.7320 2.6956 1.7320 2.0000 2.9792 1.0000
C 10 2.6457 2.9792 2.0000 1.7320 2.6956 1.7320
H 11 2.0945 0.6201 1.4479 2.2101 2.2072 2.0433
H 12 3.9419 2.2071 2.2101 1.4479 0.6200 3.1226
H 13 3.6200 3.0271 2.2901 1.4158 1.9872 2.6200
H 14 3.6188 1.4478 2.2073 2.2073 1.4478 3.1774
H 15 1.8396 3.2152 2.2900 2.6199 3.5979 1.4157
H 16 3.1407 3.5979 2.6199 2.2900 3.2152 2.2900
C 7 C 8 C 9 C 10 H 11 H 12
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C 7 0.0000
C 8 2.5962 0.0000
C 9 1.7320 3.3000 0.0000
C 10 1.0000 3.3000 1.0000 0.0000
H 11 3.1227 1.4479 3.0069 3.4394 0.0000
H 12 2.0432 1.4478 3.4394 3.0069 2.7881 0.0000
H 13 0.6200 2.8922 2.2901 1.4158 3.6200 2.0176
H 14 3.1774 0.6200 3.9140 3.9140 1.7221 1.7220
H 15 2.2900 3.8842 0.6200 1.4158 3.4575 4.0584
H 16 1.4157 3.8842 1.4158 0.6200 4.0585 3.4575
H 13 H 14 H 15 H 16
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H 13 0.0000
H 14 3.4235 0.0000
H 15 2.8059 4.4924 0.0000
H 16 1.6199 4.4924 1.6200 0.0000
ATOMIC CHARGES
F 1 -0.2033166985
N 2 -0.3584218040
C 3 0.0821226924
C 4 0.0024618380
C 5 -0.0365692280
C 6 0.1471372966
C 7 -0.0524122577
C 8 0.0028125240
C 9 -0.0243680621
C 10 -0.0583596542
H 11 0.1654139664
H 12 0.0638482306
H 13 0.0624107337
H 14 0.0806980053
H 15 0.0646791184
H 16 0.0618632990
BOND ANGLES
8 2 3 Car Nar Car 108.103
2 3 4 Nar Car Car 107.848
2 3 6 Nar Car Car 132.151
11 2 3 HC Nar Car 125.944
2 3 4 Nar Car Car 107.848
2 3 6 Nar Car Car 132.151
3 2 8 Car Nar Car 108.103
2 8 14 Nar Car HC 125.951
11 2 8 HC Nar Car 125.953
2 8 14 Nar Car HC 125.951
3 2 11 Car Nar HC 125.944
8 2 11 Car Nar HC 125.953
6 3 4 Car Car Car 120.001
3 4 5 Car Car Car 107.848
3 4 7 Car Car Car 120.001
4 3 6 Car Car Car 120.001
3 6 9 Car Car Car 119.999
7 4 5 Car Car Car 132.151
4 5 8 Car Car Car 108.103
4 5 12 Car Car HC 125.947
5 4 7 Car Car Car 132.151
4 7 10 Car Car Car 119.999
4 7 13 Car Car HC 120.001
12 5 8 HC Car Car 125.950
5 8 14 Car Car HC 125.951
8 5 12 Car Car HC 125.950
13 7 10 HC Car Car 120.001
7 10 16 Car Car HC 119.998
10 7 13 Car Car HC 120.001
15 9 10 HC Car Car 120.002
9 10 16 Car Car HC 120.002
10 9 15 Car Car HC 120.002
TORSION ANGLES
8 2 3 4 0.026
8 2 3 6 179.974
11 2 3 4 179.974
11 2 3 6 0.026
3 2 8 5 0.026
3 2 8 14 179.974
11 2 8 5 179.974
11 2 8 14 0.026
2 3 4 5 0.026
2 3 4 7 179.974
6 3 4 5 179.974
6 3 4 7 0.026
2 3 6 1 0.026
2 3 6 9 179.974
4 3 6 1 179.974
4 3 6 9 0.026
3 4 5 8 0.026
3 4 5 12 179.974
7 4 5 8 179.974
7 4 5 12 0.026
3 4 7 10 0.026
3 4 7 13 179.974
5 4 7 10 179.974
5 4 7 13 0.026
4 5 8 2 0.026
4 5 8 14 179.974
12 5 8 2 179.974
12 5 8 14 0.026
1 6 9 10 179.974
1 6 9 15 0.026
3 6 9 10 0.026
3 6 9 15 179.974
4 7 10 9 0.026
4 7 10 16 179.974
13 7 10 9 179.974
13 7 10 16 0.026
6 9 10 7 0.026
6 9 10 16 179.974
15 9 10 7 179.974
15 9 10 16 0.026
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