Geometry & MOs

Info

ID:	8568
PubChem CID:	79225
Reduced:	INO2H6C7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	262.94433
ΔH_f, kcal/mol:	26.4
Dipole, Da:	4.55
IP(EA), eV:	-10.03(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-2-methyl-4-nitrobenzene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])I

DOS

IR

Vibrations