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6-fluoro-3,4-dihydroquinolin-2(1H)-one
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ID: Cs00270
CAS:75893-82-2 Supplier:Clousem SMILES:c1c(cc2c(c1)NC(=O)CC2)F FORMULA: C9H8FNO
MASS: 165.1643
EXACT MASS: 165.0589921
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 1.5230 0.0000
C 3 2.6379 1.5230 0.0000
C 4 3.0460 2.6379 1.5230 0.0000
C 5 2.6379 3.0460 2.6379 1.5230 0.0000
C 6 1.5230 2.6379 3.0460 2.6379 1.5230 0.0000
F 7 2.6379 1.5230 2.6379 4.0294 4.5689 4.0295
C 8 4.5690 4.0295 2.6379 1.5230 2.6379 4.0295
C 9 5.4912 5.2758 4.0294 2.6379 3.0460 4.5689
C 10 5.2758 5.4912 4.5689 3.0460 2.6379 4.0294
N 11 4.0295 4.5690 4.0295 2.6379 1.5230 2.6379
O 12 6.6386 6.9793 6.0920 4.5690 4.0295 5.2758
F 7 C 8 C 9 C 10 N 11 O 12
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F 7 0.0000
C 8 5.2758 0.0000
C 9 6.6385 1.5230 0.0000
C 10 6.9792 2.6379 1.5230 0.0000
N 11 6.0920 3.0460 2.6379 1.5230 0.0000
O 12 8.4797 4.0295 2.6379 1.5230 2.6379 0.0000
ATOMIC CHARGES
C 1 0.0309510865
C 2 0.1399138428
C 3 0.0266693526
C 4 -0.0041209222
C 5 0.0695247783
C 6 0.0185809169
F 7 -0.2041811978
C 8 0.0373725358
C 9 0.0918924881
C 10 0.2458901986
N 11 -0.1795191531
O 12 -0.2729739265
BOND ANGLES
7 2 3 F Car Car 120.000
2 3 4 Car Car Car 120.000
8 4 5 C3 Car Car 119.999
4 5 6 Car Car Car 120.001
3 2 7 Car Car F 120.000
5 4 8 Car Car C3 119.999
4 8 9 Car C3 C3 120.000
12 10 11 O2 C2 Nam 120.000
10 11 5 C2 Nam Car 120.000
11 10 12 Nam C2 O2 120.000
TORSION ANGLES
6 1 2 3 0.026
6 1 2 7 179.974
1 2 3 4 0.026
7 2 3 4 179.974
2 3 4 5 0.026
2 3 4 8 179.974
3 4 5 6 0.026
3 4 5 11 179.974
8 4 5 6 179.974
8 4 5 11 0.026
4 5 6 1 0.026
11 5 6 1 179.974
5 6 1 2 0.026
3 4 8 9 179.974
5 4 8 9 0.026
4 8 9 10 0.026
8 9 10 11 0.026
8 9 10 12 179.974
9 10 11 5 0.026
12 10 11 5 179.974
10 11 5 4 0.026
10 11 5 6 179.974
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