Geometry & MOs

Info

ID:	10526
PubChem CID:	103819
Reduced:	Cl2O2N3C7H9 (1)
Stoich.:	A2B2C3D7E9 (1)
Weight, g/mol:	237.007182
ΔH_f, kcal/mol:	-6.48
Dipole, Da:	5.37
IP(EA), eV:	-10.2(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dichloropropyl)-2-methyl-5-nitroimidazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations