Geometry & MOs

Info

ID:	6573
PubChem CID:	68944
Reduced:	N3O3C7H11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	185.080041
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	5.86
IP(EA), eV:	-10.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=NC=C(N1CCCO)[N+](=O)[O-]

DOS

IR

Vibrations