Geometry & MOs

Info

ID:	51006
PubChem CID:	12013616
Reduced:	N3O6C31H33 (1)
Stoich.:	A3B6C31D33 (1)
Weight, g/mol:	490.215747
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	8.7
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4-methylanilino)-1-(4-methylphenyl)-2,3-diphenylpyridin-4-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN(CC=C)C(=O)C2=CC3=C(C=C2)N=C(N3OCC=C)C4=C(C=C(C=C4)OC)OC)OC

DOS

IR

Vibrations