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1-aminoindan |
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ID: B187221 CAS:34698-41-4 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:c12c(CCC1N)cccc2 FORMULA: C9H11N
MASS: 133.1903
EXACT MASS: 133.0891494
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 N 6
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C 1 0.0000
C 2 0.7495 0.0000
C 3 0.7535 1.2135 0.0000
C 4 1.2147 0.7504 1.2125 0.0000
C 5 1.2186 1.2121 0.7546 0.7445 0.0000
N 6 1.3309 1.9330 0.7432 1.9340 1.3384 0.0000
C 7 0.7510 1.2976 1.3776 1.9241 1.9607 1.6946
C 8 1.3005 0.7543 1.9272 1.3751 1.9558 2.6088
C 9 1.3014 1.5008 2.0324 2.2408 2.4872 2.4352
C 10 1.5036 1.3041 2.2458 2.0308 2.4869 2.8108
C 7 C 8 C 9 C 10
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C 7 0.0000
C 8 1.4959 0.0000
C 9 0.7493 1.2945 0.0000
C 10 1.2965 0.7497 0.7464 0.0000
ATOMIC CHARGES
C 1 -0.0088740506
C 2 -0.0247353675
C 3 0.1140147196
C 4 0.0279113410
C 5 0.0281647257
N 6 -0.1281194611
C 7 -0.0031897608
C 8 -0.0045327888
C 9 -0.0002981143
C 10 -0.0003412431
BOND ANGLES
4 5 3 C3 C3 C3 107.962
5 3 1 C3 C3 Car 107.816
10 8 2 Car Car Car 120.245
8 2 1 Car Car Car 119.732
3 5 4 C3 C3 C3 107.962
5 4 2 C3 C3 Car 108.358
2 8 10 Car Car Car 120.245
8 10 9 Car Car Car 119.813
TORSION ANGLES
4 2 1 3 0.026
4 2 1 7 179.974
8 2 1 3 179.974
8 2 1 7 0.026
5 3 1 2 0.026
5 3 1 7 179.974
6 3 1 2 179.974
6 3 1 7 0.026
5 4 2 1 0.026
5 4 2 8 179.974
4 5 3 1 0.026
4 5 3 6 179.974
9 7 1 2 0.026
9 7 1 3 179.974
10 8 2 1 0.026
10 8 2 4 179.974
10 9 7 1 0.026
8 10 9 7 0.026
3 5 4 2 0.026
2 8 10 9 0.026
CHIRAL ATOMS
C 3 is chiral: counterclockwise
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