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1-INDANAMINE
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ID: BP-10472
CAS:34698-41-4 Supplier:BroadPharm 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 1.4190 0.0000
C 3 1.4293 2.3041 0.0000
C 4 2.3087 1.4325 2.3058 0.0000
C 5 2.3077 2.3126 1.4178 1.4328 0.0000
N 6 2.5659 3.7104 1.4509 3.7127 2.5530 0.0000
C 7 1.4318 2.4711 2.6121 3.6653 3.7186 3.2385
C 8 2.4768 1.4382 3.6672 2.6194 3.7309 5.0016
C 9 2.4784 2.8567 3.8629 4.2694 4.7294 4.6562
C 10 2.8617 2.4890 4.2715 3.8769 4.7409 5.3772
C 7 C 8 C 9 C 10
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C 7 0.0000
C 8 2.8619 0.0000
C 9 1.4333 2.4743 0.0000
C 10 2.4717 1.4440 1.4138 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
5 4 2 C3 C3 Car 107.626
4 2 1 C3 Car Car 108.116
10 8 2 Car Car Car 119.437
8 2 1 Car Car Car 120.191
2 4 5 Car C3 C3 107.626
4 5 3 C3 C3 C3 107.975
2 8 10 Car Car Car 119.437
8 10 9 Car Car Car 119.946
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
2 4 5 3 0.026
2 8 10 9 0.026
CHIRAL ATOMS
C 3 is chiral: counterclockwise
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