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(1R,2R)-(+)-1,2-DIPHENYLETHYLENEDIAMINE
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ID: BP-10506
CAS:35132-20-8 Supplier:BroadPharm SMILES:[C@H]([C@@H](c1ccccc1)N)(c1ccccc1)N FORMULA: C14H16N2
MASS: 212.2902
EXACT MASS: 212.1313485
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 N 5 N 6
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C 1 0.0000
C 2 1.4481 0.0000
C 3 1.4508 2.5125 0.0000
C 4 2.4875 1.4166 3.8097 0.0000
N 5 1.4459 2.5083 2.5045 2.8942 0.0000
N 6 2.5083 1.4459 2.9034 2.4704 3.8297 0.0000
C 7 2.4876 3.8091 1.4202 4.9750 2.8790 4.3236
C 8 2.4999 2.8988 1.4333 4.3154 3.8160 2.5250
C 9 2.8668 2.4694 4.3175 1.4375 2.5001 3.7882
C 10 3.7933 2.4667 4.9792 1.4238 4.3180 2.8484
C 11 3.7957 4.9833 2.4708 6.2537 4.3027 5.1973
C 12 3.8017 4.3231 2.4750 5.7397 4.9795 3.8252
C 13 4.2926 3.7692 5.7434 2.4771 3.8002 4.9474
C 14 4.9625 3.7705 6.2579 2.4750 5.1843 4.2721
C 15 4.3072 5.1888 2.8564 6.5740 5.1771 4.9958
C 16 5.1630 4.2788 6.5794 2.8622 4.9750 5.1477
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 2.4678 0.0000
C 9 5.1820 5.1837 0.0000
C 10 6.2509 5.1849 2.4735 0.0000
C 11 1.4238 2.8564 6.5754 7.4500 0.0000
C 12 2.8500 1.4243 6.5758 6.5767 2.4771 0.0000
C 13 6.5767 6.5762 1.4259 2.8500 7.9810 7.9799
C 14 7.4500 6.5780 2.8622 1.4238 8.7170 7.9810
C 15 2.4699 2.4708 7.1739 7.5890 1.4333 1.4280
C 16 7.5898 7.1776 2.4750 2.4735 8.9506 8.6019
C 13 C 14 C 15 C 16
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C 13 0.0000
C 14 2.4771 0.0000
C 15 8.5998 8.9496 0.0000
C 16 1.4259 1.4375 9.3991 0.0000
ATOMIC CHARGES
C 1 0.1356194505
C 2 0.1356194505
C 3 -0.0031861488
C 4 -0.0031861488
N 5 -0.1262162520
N 6 -0.1262162520
C 7 -0.0028215266
C 8 -0.0028215266
C 9 -0.0028215266
C 10 -0.0028215266
C 11 -0.0002775433
C 12 -0.0002775433
C 13 -0.0002775433
C 14 -0.0002775433
C 15 -0.0000189099
C 16 -0.0000189099
BOND ANGLES
6 2 1 N3 C3 C3 120.160
2 1 5 C3 C3 N3 120.160
1 2 6 C3 C3 N3 120.160
11 15 12 Car Car Car 119.932
15 12 8 Car Car Car 120.053
13 16 14 Car Car Car 119.785
16 14 10 Car Car Car 119.642
12 15 11 Car Car Car 119.932
15 11 7 Car Car Car 119.642
14 16 13 Car Car Car 119.785
16 13 9 Car Car Car 120.429
TORSION ANGLES
4 2 1 3 179.974
4 2 1 5 0.026
6 2 1 3 0.026
6 2 1 5 179.974
7 3 1 2 179.974
7 3 1 5 0.026
8 3 1 2 0.026
8 3 1 5 179.974
9 4 2 1 0.026
9 4 2 6 179.974
10 4 2 1 179.974
10 4 2 6 0.026
11 7 3 1 179.974
11 7 3 8 0.026
12 8 3 1 179.974
12 8 3 7 0.026
13 9 4 2 179.974
13 9 4 10 0.026
14 10 4 2 179.974
14 10 4 9 0.026
15 11 7 3 0.026
15 12 8 3 0.026
16 13 9 4 0.026
16 14 10 4 0.026
11 15 12 8 0.026
13 16 14 10 0.026
12 15 11 7 0.026
14 16 13 9 0.026
CHIRAL ATOMS
C 1 is chiral: clockwise
C 2 is chiral: clockwise
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