Geometry & MOs

Info

ID:	26197
PubChem CID:	640805
Reduced:	ClNO6C10H14 (1)
Stoich.:	ABC6D10E14 (1)
Weight, g/mol:	194.960232
ΔH_f, kcal/mol:	-216.67
Dipole, Da:	1.53
IP(EA), eV:	-9.8(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-1-methyl-5-nitroimidazole

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@](O1)(N=O)Cl)OC(O2)(C)C

DOS

IR

Vibrations