Geometry & MOs

Info

ID:	6724
PubChem CID:	69715
Reduced:	NOC2H3 (3)
Stoich.:	ABC2D3 (3)
Weight, g/mol:	171.064391
ΔH_f, kcal/mol:	-22.27
Dipole, Da:	8.41
IP(EA), eV:	-10.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-4-nitroimidazol-1-yl)ethanol

Drug info:

PubChemData

Smile

CC1=NC(=CN1CCO)[N+](=O)[O-]

DOS

IR

Vibrations