Geometry & MOs

Info

ID:	10204
PubChem CID:	98852
Reduced:	N3H9C14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	219.079647
ΔH_f, kcal/mol:	111.06
Dipole, Da:	4.02
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyanoanilino)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations