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N-(2-Chloroethyl)morpholine hydrochloride |
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ID: B187369 CAS:3647-69-6 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:N1(CCCl)CCOCC1.Cl FORMULA: C6H13Cl2NO
MASS: 186.0795
EXACT MASS: 185.0374194
INTERATOMIC DISTANCES
N 1 O 2 Cl 3 Cl 4 C 5 C 6
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N 1 0.0000
O 2 1.9975 0.0000
Cl 3 2.0464 3.6982 0.0000
Cl 4 2.6435 4.5777 2.6318 0.0000
C 5 1.0041 3.0017 1.5625 1.7250 0.0000
C 6 0.9985 1.7267 1.9881 3.4625 1.7375 0.0000
C 7 1.0000 1.7292 3.0311 2.9980 1.7344 1.7288
C 8 1.7292 1.0000 2.9456 4.3538 2.6476 0.9948
C 9 1.7324 0.9969 3.7336 3.9986 2.6493 1.9958
C 10 1.7333 3.6040 2.3854 0.9969 0.9969 2.6469
C 7 C 8 C 9 C 10
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C 7 0.0000
C 8 1.9975 0.0000
C 9 1.0006 1.7303 0.0000
C 10 2.0011 3.4625 3.0017 0.0000
ATOMIC CHARGES
N 1 -0.2673453234
O 2 -0.3508133329
Cl 3 0.0000000000
Cl 4 -0.1121870578
C 5 0.0899182857
C 6 0.1046553195
C 7 0.1046553195
C 8 0.1594886935
C 9 0.1594886935
C 10 0.1121394023
BOND ANGLES
2 9 7 O3 C3 C3 119.918
9 7 1 C3 C3 N3 119.981
7 9 2 C3 C3 O3 119.918
9 2 8 C3 O3 C3 120.101
TORSION ANGLES
9 2 8 6 0.026
10 5 1 6 179.974
10 5 1 7 0.026
8 6 1 5 179.974
8 6 1 7 0.026
9 7 1 5 179.974
9 7 1 6 0.026
2 8 6 1 0.026
2 9 7 1 0.026
4 10 5 1 179.974
7 9 2 8 0.026
CHIRAL ATOMS
N 1 is chiral: counterclockwise
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