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4-Cyclopropyl-N-methyl-benzenamine |
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ID: 6775 CAS:1260656-74-3 Supplier:SYNCHEM OHG SMILES:c1c(ccc(c1)C1CC1)NC FORMULA: C10H13N
MASS: 147.2169
EXACT MASS: 147.1047994
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 1.6520 1.4313 0.8272 0.0000
C 5 1.4272 1.6525 1.4341 0.8305 0.0000
C 6 0.8228 1.4305 1.6530 1.4327 0.8241 0.0000
N 7 1.4313 0.8250 1.4296 2.1854 2.4775 2.1835
C 8 1.6517 1.4289 2.1833 2.8602 2.9754 2.4744
C 9 2.1807 2.4775 2.1880 1.4338 0.8250 1.4283
C 10 2.9940 3.2183 2.7989 1.9792 1.5931 2.2520
C 11 2.7907 3.2187 3.0031 2.2601 1.5944 1.9744
N 7 C 8 C 9 C 10 C 11
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N 7 0.0000
C 8 0.8249 0.0000
C 9 3.3025 3.7811 0.0000
C 10 4.0383 4.5684 0.8237 0.0000
C 11 4.0379 4.4367 0.8262 0.8250 0.0000
ATOMIC CHARGES
C 1 0.0157628049
C 2 0.0653487148
C 3 0.0157628049
C 4 -0.0029564342
C 5 -0.0224203728
C 6 -0.0029564342
N 7 -0.2357215959
C 8 0.1354567848
C 9 0.0223537953
C 10 0.0046849662
C 11 0.0046849662
BOND ANGLES
9 5 6 C3 Car Car 120.020
5 6 1 Car Car Car 120.132
3 2 7 Car Car Npl 120.035
2 7 8 Car Npl C3 120.005
6 5 9 Car Car C3 120.020
5 9 11 Car C3 C3 149.847
7 2 3 Npl Car Car 120.035
2 3 4 Car Car Car 120.004
TORSION ANGLES
9 5 6 1 179.974
4 5 6 1 0.026
5 6 1 2 0.026
6 1 2 7 179.974
6 1 2 3 0.026
1 2 7 8 0.026
3 2 7 8 179.974
2 3 4 5 0.026
6 5 9 10 179.974
6 5 9 11 0.026
4 5 9 10 0.026
4 5 9 11 179.974
11 10 9 5 179.974
11 10 9 11 0.026
9 11 10 9 0.026
5 9 11 10 179.974
10 9 11 10 0.026
3 4 5 6 0.026
3 4 5 9 179.974
1 2 3 4 0.026
7 2 3 4 179.974
CHIRAL ATOMS
C 9 is chiral: counterclockwise
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