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N-(2-Chloroethyl)pyrrolidine hydrochloride |
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ID: CHH16024 CAS:7250-67-1 Supplier:ChemiK Co.,Ltd. SMILES:N1(CCCC1)CCCl.Cl FORMULA: C6H13Cl2N
MASS: 170.0801
EXACT MASS: 169.0425048
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.7174 0.0000
C 3 1.1609 0.7175 0.0000
C 4 1.1609 1.1609 0.7175 0.0000
C 5 0.7175 1.1609 1.1610 0.7175 0.0000
C 6 0.7175 1.2786 1.8566 1.8566 1.2786 0.0000
C 7 1.2428 1.4986 2.1961 2.3905 1.9205 0.7175
Cl 8 1.8983 2.2158 2.9097 3.0590 2.5204 1.2427
H 9 2.4855 2.6581 3.3744 3.6290 3.1544 1.8983
Cl 10 3.1275 3.3577 4.0713 4.2846 3.7629 2.4855
C 7 Cl 8 H 9 Cl 10
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C 7 0.0000
Cl 8 0.7175 0.0000
H 9 1.2427 0.7175 0.0000
Cl 10 1.8983 1.2428 0.7175 0.0000
ATOMIC CHARGES
N 1 -0.2716076527
C 2 0.0721746463
C 3 0.0187550149
C 4 0.0187550149
C 5 0.0721746463
C 6 0.0897975730
C 7 0.1121378219
Cl 8 -0.1121870645
H 9 0.1453996612
Cl 10 -0.1453996612
BOND ANGLES
5 1 2 C3 N3 C3 108.006
1 2 3 N3 C3 C3 108.003
6 1 2 C3 N3 C3 126.003
1 2 3 N3 C3 C3 108.003
2 1 5 C3 N3 C3 108.006
6 1 5 C3 N3 C3 125.991
2 1 6 C3 N3 C3 126.003
1 6 7 N3 C3 C3 119.995
5 1 6 C3 N3 C3 125.991
1 6 7 N3 C3 C3 119.995
TORSION ANGLES
5 1 2 3 0.026
6 1 2 3 179.974
1 2 3 4 0.026
2 3 4 5 0.026
3 4 5 1 0.026
2 1 5 4 0.026
6 1 5 4 179.974
1 6 7 8 179.974
2 1 6 7 0.026
5 1 6 7 179.974
CHIRAL ATOMS
N 1 is chiral: counterclockwise
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