Geometry & MOs

Info

ID:	230161
PubChem CID:	87570327
Reduced:	NC8H9 (1)
Stoich.:	AB8C9 (1)
Weight, g/mol:	645.992423
ΔH_f, kcal/mol:	63.09
Dipole, Da:	3.36
IP(EA), eV:	-8.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-cyanophenyl)-1,2-bis(sulfanyl)ethenyl]benzonitrile;nickel

Drug info:

PubChemData

Smile

C1=CC(=C/C=C/N)C=C1

DOS

IR

Vibrations