Geometry & MOs

Info

ID:	9602
PubChem CID:	91403
Reduced:	ClO2N3C5H8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	177.030504
ΔH_f, kcal/mol:	-14.84
Dipole, Da:	6.76
IP(EA), eV:	-9.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-5-nitroimidazole;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)[N+](=O)[O-].Cl

DOS

IR

Vibrations