Geometry & MOs

Info

ID:	315850
PubChem CID:	126629075
Reduced:	N2H20C29 (1)
Stoich.:	A2B20C29 (1)
Weight, g/mol:	401.116427
ΔH_f, kcal/mol:	138.79
Dipole, Da:	1.35
IP(EA), eV:	-8.74(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenyl)-5,10-dioxobenzo[g]quinoxalin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(C3=NC4=CC=CC=C4N=C23)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations