Geometry & MOs

Info

ID:	8330
PubChem CID:	76467
Reduced:	INH4C7 (1)
Stoich.:	ABC4D7 (1)
Weight, g/mol:	228.93885
ΔH_f, kcal/mol:	72.47
Dipole, Da:	2.64
IP(EA), eV:	-9.83(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)I

DOS

IR

Vibrations