Geometry & MOs

Info

ID:	146543
PubChem CID:	53703299
Reduced:	NOCl2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	281.97395
ΔH_f, kcal/mol:	-13.49
Dipole, Da:	17.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.028136
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-2-iodo-1-methyl-5-nitroimidazol-1-ium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCC(=O)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations