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3-aminopyrrolidine dihydrochloride |
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ID: CHH16023 CAS:103831-11-4 Supplier:ChemiK Co.,Ltd. SMILES:N1CC(CC1)N.Cl.Cl FORMULA: C4H12Cl2N2
MASS: 159.0575
EXACT MASS: 158.0377538
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 N 6
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N 1 0.0000
C 2 0.7175 0.0000
C 3 1.1609 0.7175 0.0000
C 4 1.1609 1.1609 0.7174 0.0000
C 5 0.7175 1.1609 1.1609 0.7175 0.0000
N 6 1.8566 1.2786 0.7175 1.2785 1.8566 0.0000
H 7 2.3906 1.9205 1.2428 1.4986 2.1962 0.7175
Cl 8 3.0592 2.5205 1.8983 2.2159 2.9098 1.2428
H 9 3.6291 3.1545 2.4855 2.6580 3.3744 1.8983
Cl 10 4.2847 3.7629 3.1275 3.3577 4.0712 2.4855
H 7 Cl 8 H 9 Cl 10
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H 7 0.0000
Cl 8 0.7175 0.0000
H 9 1.2427 0.7175 0.0000
Cl 10 1.8983 1.2427 0.7175 0.0000
ATOMIC CHARGES
N 1 -0.2164763826
C 2 0.1076621235
C 3 0.1105848771
C 4 0.0392865137
C 5 0.0902867660
N 6 -0.1313438977
H 7 0.1453996612
Cl 8 -0.1453996612
H 9 0.1453996612
Cl 10 -0.1453996612
BOND ANGLES
6 3 4 N3 C3 C3 126.001
3 4 5 C3 C3 C3 108.003
2 1 5 C3 N3 C3 107.998
4 3 6 C3 C3 N3 126.001
5 1 2 C3 N3 C3 107.998
1 2 3 N3 C3 C3 107.998
TORSION ANGLES
1 2 3 4 0.026
1 2 3 6 179.974
2 3 4 5 0.026
6 3 4 5 179.974
3 4 5 1 0.026
2 1 5 4 0.026
5 1 2 3 0.026
CHIRAL ATOMS
C 3 is chiral: counterclockwise
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