Geometry & MOs

Info

ID:	9791
PubChem CID:	93336
Reduced:	N3O4C7H11 (1)
Stoich.:	A3B4C7D11 (1)
Weight, g/mol:	201.074956
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	5.6
IP(EA), eV:	-10.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-5-nitroimidazol-1-yl)propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=NC=C(N1CC(CO)O)[N+](=O)[O-]

DOS

IR

Vibrations