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1-ISOPROPYLPIPERAZINE
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ID: BP-10533
CAS:4318-42-7 Supplier:BroadPharm SMILES:N1(C(C)C)CCNCC1 FORMULA: C7H16N2
MASS: 128.2153
EXACT MASS: 128.1313485
INTERATOMIC DISTANCES
N 1 N 2 C 3 C 4 C 5 C 6
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N 1 0.0000
N 2 3.0083 0.0000
C 3 1.5042 4.5125 0.0000
C 4 1.5008 2.6057 2.6022 0.0000
C 5 1.5080 2.6099 2.6064 2.6083 0.0000
C 6 2.6099 1.5080 3.9835 3.0130 1.5083 0.0000
C 7 2.6057 1.5008 3.9808 1.5083 3.0130 2.6083
C 8 2.6760 5.5250 1.5054 3.1301 4.0261 5.2843
C 9 2.6649 5.5128 1.4982 4.0112 3.1178 4.6258
C 7 C 8 C 9
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C 7 0.0000
C 8 4.6381 0.0000
C 9 5.2694 2.4500 0.0000
ATOMIC CHARGES
N 1 -0.2715335530
N 2 -0.2151151361
C 3 0.0576732345
C 4 0.0911158681
C 5 0.0911158681
C 6 0.1060320691
C 7 0.1060320691
C 8 0.0173397901
C 9 0.0173397901
BOND ANGLES
7 2 6 C3 N3 C3 120.194
2 6 5 N3 C3 C3 119.824
6 2 7 C3 N3 C3 120.194
2 7 4 N3 C3 C3 119.982
TORSION ANGLES
7 2 6 5 0.026
8 3 1 4 0.026
8 3 1 5 179.974
9 3 1 4 179.974
9 3 1 5 0.026
7 4 1 3 179.974
7 4 1 5 0.026
6 5 1 3 179.974
6 5 1 4 0.026
2 6 5 1 0.026
2 7 4 1 0.026
6 2 7 4 0.026
CHIRAL ATOMS
N 1 is chiral: counterclockwise
C 3 is chiral: counterclockwise
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