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2-(morpholin-2-yl)ethanol hydrochloride
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ID: Cs00282
CAS:857214-74-5 Supplier:Clousem SMILES:C1CNCC(O1)CCO.Cl FORMULA: C6H14ClNO2
MASS: 167.6339
EXACT MASS: 167.0713064
INTERATOMIC DISTANCES
C 1 C 2 N 3 C 4 C 5 O 6
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C 1 0.0000
C 2 1.5231 0.0000
N 3 2.6380 1.5230 0.0000
C 4 3.0460 2.6379 1.5230 0.0000
C 5 2.6379 3.0460 2.6380 1.5231 0.0000
O 6 1.5229 2.6379 3.0460 2.6379 1.5230 0.0000
C 7 4.0295 4.5690 4.0295 2.6379 1.5230 2.6380
C 8 5.2758 5.4913 4.5691 3.0460 2.6379 4.0295
O 9 6.6386 6.9793 6.0921 4.5690 4.0295 5.2759
Cl 10 3.8462 3.0903 1.6307 1.0054 2.5008 3.6256
C 7 C 8 O 9 Cl 10
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C 7 0.0000
C 8 1.5229 0.0000
O 9 2.6379 1.5230 0.0000
Cl 10 3.4006 3.4106 4.8888 0.0000
ATOMIC CHARGES
C 1 0.1608502632
C 2 0.1207699698
N 3 -0.2128420592
C 4 0.1182815811
C 5 0.1352248635
O 6 -0.3531587773
C 7 0.0665529058
C 8 0.1846577003
O 9 -0.2203364472
Cl 10 0.0000000000
BOND ANGLES
7 5 6 C3 C3 O3 120.008
5 6 1 C3 O3 C3 120.006
6 5 7 O3 C3 C3 120.008
5 7 8 C3 C3 C3 120.006
TORSION ANGLES
6 1 2 3 0.026
1 2 3 4 0.026
2 3 4 5 0.026
3 4 5 6 0.026
3 4 5 7 179.974
4 5 6 1 0.026
7 5 6 1 179.974
5 6 1 2 0.026
4 5 7 8 0.026
6 5 7 8 179.974
5 7 8 9 179.974
CHIRAL ATOMS
C 5 is chiral: counterclockwise
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