Geometry & MOs

Info

ID:	6426
PubChem CID:	68592
Reduced:	ClN3O3C6H10 (1)
Stoich.:	AB3C3D6E10 (1)
Weight, g/mol:	207.041069
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	5.47
IP(EA), eV:	-10.54(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-5-nitroimidazol-1-yl)ethanol;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC=C(N1CCO)[N+](=O)[O-].Cl

DOS

IR

Vibrations