Geometry & MOs

Info

ID:	314703
PubChem CID:	126622774
Reduced:	NPO8C43H83 (1)
Stoich.:	ABC8D43E83 (1)
Weight, g/mol:	193.123342
ΔH_f, kcal/mol:	-490.98
Dipole, Da:	4.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.756387
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(cyclohexylamino)propan-1-ol;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C[N+](C)(C)CCOP(=O)(O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC

DOS

IR

Vibrations