Geometry & MOs

Info

ID:	8336
PubChem CID:	76598
Reduced:	INO2H6C7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	262.94433
ΔH_f, kcal/mol:	26.45
Dipole, Da:	5.44
IP(EA), eV:	-10.16(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(iodomethyl)-4-nitrobenzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CI)[N+](=O)[O-]

DOS

IR

Vibrations