Geometry & MOs

Info

ID:	50162
PubChem CID:	12012670
Reduced:	O2N3H9C14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	276.064726
ΔH_f, kcal/mol:	100.89
Dipole, Da:	4.49
IP(EA), eV:	-10.09(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-2-cyano-2-(5-nitropyridin-2-yl)ethenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C(\C#N)/C2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations