Geometry & MOs

Info

ID:	315848
PubChem CID:	126629064
Reduced:	N2H20C29 (2)
Stoich.:	A2B20C29 (2)
Weight, g/mol:	412.096026
ΔH_f, kcal/mol:	270.76
Dipole, Da:	4.48
IP(EA), eV:	-8.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(N=C(N3)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC(=C8)C9=CC(=CC=C9)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations