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1-(2,3-DIHYDRO-1-BENZOFURAN-2-YL)METHANAMINE HYDROCHLORIDE
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ID: BP-10371
CAS:19997-54-7 Supplier:BroadPharm SMILES:O1c2c(CC1CN)cccc2.Cl FORMULA: C9H12ClNO
MASS: 185.6507
EXACT MASS: 185.0607417
INTERATOMIC DISTANCES
O 1 C 2 C 3 C 4 C 5 Cl 6
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O 1 0.0000
C 2 1.4323 0.0000
C 3 2.3212 1.4375 0.0000
C 4 1.4429 2.3190 2.3100 0.0000
C 5 2.3375 2.3346 1.4375 1.4328 0.0000
Cl 6 3.4005 3.8432 3.0381 2.0007 1.6103 0.0000
N 7 3.8224 4.7591 4.3687 2.4636 2.9757 1.6956
C 8 2.5494 3.6984 3.6928 1.4250 2.5437 2.0878
C 9 2.6132 1.4238 2.4735 3.7260 3.6770 5.2367
C 10 3.6770 2.4879 1.4321 3.7212 2.6132 4.0544
C 11 3.8670 2.4792 2.8658 4.7363 4.2840 5.8939
C 12 4.2767 2.8658 2.4792 4.7319 3.8689 5.4035
N 7 C 8 C 9 C 10 C 11 C 12
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N 7 0.0000
C 8 1.4171 0.0000
C 9 6.1781 5.0705 0.0000
C 10 5.5786 5.0670 2.8625 0.0000
C 11 7.0924 6.1481 1.4275 2.4900 0.0000
C 12 6.8366 6.1447 2.4756 1.4357 1.4375 0.0000
ATOMIC CHARGES
O 1 -0.4775961348
C 2 0.1345329156
C 3 0.0154396993
C 4 0.1892339579
C 5 0.0744722150
Cl 6 0.0000000000
N 7 -0.1274155438
C 8 0.1529486876
C 9 0.0365695818
C 10 -0.0011555492
C 11 0.0030917320
C 12 -0.0001215613
BOND ANGLES
3 5 4 Car C3 C3 107.179
5 4 1 C3 C3 O3 108.750
10 12 11 Car Car Car 120.135
12 11 9 Car Car Car 119.559
4 5 3 C3 C3 Car 107.179
5 3 2 C3 Car Car 108.591
11 12 10 Car Car Car 120.135
12 10 3 Car Car Car 119.646
TORSION ANGLES
3 2 1 4 0.026
9 2 1 4 179.974
10 3 2 1 179.974
10 3 2 9 0.026
5 3 2 1 0.026
5 3 2 9 179.974
5 4 1 2 0.026
8 4 1 2 179.974
3 5 4 1 0.026
3 5 4 8 179.974
7 8 4 1 179.974
7 8 4 5 0.026
11 9 2 1 179.974
11 9 2 3 0.026
12 10 3 2 0.026
12 10 3 5 179.974
12 11 9 2 0.026
10 12 11 9 0.026
4 5 3 2 0.026
4 5 3 10 179.974
11 12 10 3 0.026
CHIRAL ATOMS
C 4 is chiral: counterclockwise
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