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1-(2-DIMETHYLAMINOETHYL)-PIPERAZINE
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ID: BP-10526
CAS:3644-18-6 Supplier:BroadPharm SMILES:N1(CCN(C)C)CCNCC1 FORMULA: C8H19N3
MASS: 157.2566
EXACT MASS: 157.1578976
INTERATOMIC DISTANCES
N 1 N 2 C 3 N 4 C 5 C 6
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N 1 0.0000
N 2 2.7375 0.0000
C 3 1.3750 4.1125 0.0000
N 4 3.4509 6.0764 2.2359 0.0000
C 5 2.2359 4.7418 1.3678 1.3750 0.0000
C 6 1.3722 2.3691 2.3799 3.8889 2.5147 0.0000
C 7 1.3722 2.3691 2.3799 4.6108 3.5297 2.3750
C 8 2.3727 1.3701 3.6290 5.8097 4.6038 2.7402
C 9 2.3727 1.3701 3.6290 5.2552 3.8806 1.3667
C 10 4.5788 7.0318 3.5092 1.3679 2.3459 4.7086
C 11 3.8340 6.5712 2.4594 1.3717 2.3481 4.6557
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 1.3667 0.0000
C 9 2.7402 2.3750 0.0000
C 10 5.8366 6.9492 6.0329 0.0000
C 11 4.6938 6.0213 5.9917 2.4292 0.0000
ATOMIC CHARGES
N 1 -0.2690342175
N 2 -0.2151151279
C 3 0.0897059819
N 4 -0.2691151829
C 5 0.0897050648
C 6 0.0911886464
C 7 0.0911886464
C 8 0.1060330334
C 9 0.1060330334
C 10 0.0897050610
C 11 0.0897050610
BOND ANGLES
9 2 8 C3 N3 C3 120.167
2 8 7 N3 C3 C3 119.917
8 2 9 C3 N3 C3 120.167
2 9 6 N3 C3 C3 119.917
TORSION ANGLES
9 2 8 7 0.026
5 3 1 6 0.026
5 3 1 7 179.974
10 4 5 3 179.974
11 4 5 3 0.026
4 5 3 1 179.974
9 6 1 3 179.974
9 6 1 7 0.026
8 7 1 3 179.974
8 7 1 6 0.026
2 8 7 1 0.026
2 9 6 1 0.026
8 2 9 6 0.026
CHIRAL ATOMS
N 1 is chiral: counterclockwise
N 4 is chiral: counterclockwise
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