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1,5-Dibromonaphthalene |
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ID: 6885 CAS:7351-74-8 Supplier:SYNCHEM OHG SMILES:c1ccc2c(c1Br)cccc2Br FORMULA: C10H6Br2
MASS: 285.9626
EXACT MASS: 283.8836242
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 0.8274 0.0000
C 3 1.4309 0.8255 0.0000
C 4 0.8228 1.4305 1.6530 0.0000
C 5 1.4272 1.6525 1.4341 0.8241 0.0000
C 6 1.6483 1.4292 0.8272 1.4284 0.8268 0.0000
C 7 2.4733 2.1827 1.4297 2.1821 1.4300 0.8250
C 8 2.9734 2.8595 2.1856 2.4750 1.6509 1.4303
C 9 2.8535 2.9751 2.4786 2.1791 1.4263 1.6514
C 10 2.1780 2.4749 2.1857 1.4258 0.8223 1.4295
Br 11 1.4266 2.1839 2.4780 0.8250 1.4277 2.1826
Br 12 2.9734 2.4746 1.6491 2.8573 2.1841 1.4289
C 7 C 8 C 9 C 10 Br 11 Br 12
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C 7 0.0000
C 8 0.8266 0.0000
C 9 1.4331 0.8299 0.0000
C 10 1.6520 1.4318 0.8237 0.0000
Br 11 2.8577 2.9748 2.4705 1.6468 0.0000
Br 12 0.8250 1.4303 2.1876 2.4770 3.5959 0.0000
ATOMIC CHARGES
C 1 0.0066958033
C 2 0.0005206516
C 3 0.0005206516
C 4 0.0345659873
C 5 0.0066958033
C 6 0.0066958033
C 7 0.0345659873
C 8 0.0066958033
C 9 0.0005206516
C 10 0.0005206516
Br 11 -0.0489988972
Br 12 -0.0489988972
BOND ANGLES
4 5 6 Car Car Car 119.818
5 6 7 Car Car Car 119.936
12 7 8 Br Car Car 120.002
7 8 9 Car Car Car 119.788
6 5 4 Car Car Car 119.818
5 4 1 Car Car Car 120.132
5 4 11 Car Car Br 119.930
11 4 1 Br Car Car 119.938
4 1 2 Car Car Car 120.188
1 4 11 Car Car Br 119.938
8 7 12 Car Car Br 120.002
TORSION ANGLES
4 5 6 3 0.026
4 5 6 7 179.974
10 5 6 3 179.974
10 5 6 7 0.026
2 3 6 5 0.026
2 3 6 7 179.974
5 6 7 8 0.026
5 6 7 12 179.974
3 6 7 8 179.974
3 6 7 12 0.026
4 1 2 3 0.026
6 7 8 9 0.026
12 7 8 9 179.974
6 5 4 1 0.026
6 5 4 11 179.974
10 5 4 1 179.974
10 5 4 11 0.026
7 8 9 10 0.026
5 4 1 2 0.026
11 4 1 2 179.974
8 9 10 5 0.026
9 10 5 6 0.026
9 10 5 4 179.974
1 2 3 6 0.026
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