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ß-Naphthylamine
2-naphthalenamine |
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ID: BBC/428 CAS:91-59-8 Supplier:Aronis SMILES:c12cc(N)ccc1cccc2 FORMULA: C10H9N
MASS: 143.1852
EXACT MASS: 143.0734993
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 N 6
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C 1 0.0000
C 2 1.3308 0.0000
C 3 1.3291 2.3019 0.0000
C 4 2.3092 2.6625 1.3350 0.0000
C 5 2.3000 1.3256 2.6544 2.3014 0.0000
N 6 3.5123 2.2958 3.9815 3.5125 1.3272 0.0000
C 7 2.6585 2.3013 2.3000 1.3256 1.3292 2.2999
C 8 1.3221 2.2959 2.2993 3.5189 3.5065 4.5917
C 9 2.3055 3.5207 1.3329 2.3084 3.9873 5.3145
C 10 2.2958 3.5107 2.6591 3.9941 4.5958 5.7820
C 11 2.6559 3.9867 2.3042 3.5245 4.7888 6.0851
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 3.9806 0.0000
C 9 3.5172 2.6625 0.0000
C 10 4.7888 1.3266 2.3101 0.0000
C 11 4.6042 2.3025 1.3335 1.3333 0.0000
ATOMIC CHARGES
C 1 0.0013414455
C 2 0.0180552704
C 3 0.0000846369
C 4 0.0013834977
C 5 0.0890924377
N 6 -0.1280572714
C 7 0.0180558001
C 8 0.0000425841
C 9 0.0000010611
C 10 0.0000005316
C 11 0.0000000063
BOND ANGLES
5 7 4 Car Car Car 120.194
7 4 3 Car Car Car 119.638
9 11 10 Car Car Car 120.050
11 10 8 Car Car Car 119.908
10 11 9 Car Car Car 120.050
11 9 3 Car Car Car 119.577
4 7 5 Car Car Car 120.194
7 5 2 Car Car Car 120.190
TORSION ANGLES
5 2 1 3 0.026
5 2 1 8 179.974
4 3 1 2 0.026
4 3 1 8 179.974
9 3 1 2 179.974
9 3 1 8 0.026
7 4 3 1 0.026
7 4 3 9 179.974
6 5 2 1 179.974
7 5 2 1 0.026
5 7 4 3 0.026
10 8 1 2 179.974
10 8 1 3 0.026
11 9 3 1 0.026
11 9 3 4 179.974
11 10 8 1 0.026
9 11 10 8 0.026
10 11 9 3 0.026
4 7 5 2 0.026
4 7 5 6 179.974
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