Geometry & MOs

Info

ID:	225571
PubChem CID:	85856182
Reduced:	OSSeC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	249.053826
ΔH_f, kcal/mol:	14.21
Dipole, Da:	2.78
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyanophenyl)-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC=C(CCO)[Se]C2=CC=CC=C2

DOS

IR

Vibrations