Geometry & MOs

Info

ID:	5039
PubChem CID:	12495
Reduced:	INO2H4C6 (1)
Stoich.:	ABC2D4E6 (1)
Weight, g/mol:	248.92868
ΔH_f, kcal/mol:	36.42
Dipole, Da:	4.01
IP(EA), eV:	-10.15(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-4-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations