Geometry & MOs

Info

ID:	310266
PubChem CID:	126577631
Reduced:	SN2H22C37 (1)
Stoich.:	AB2C22D37 (1)
Weight, g/mol:	599.199762
ΔH_f, kcal/mol:	190.47
Dipole, Da:	2.68
IP(EA), eV:	-8.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-8-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=CC3=C(C=C2)C4=C(S3)C=CC(=C4)C5=CC=CC=C5N6C7=CC=CC=C7C8=CC=CC=C86

DOS

IR

Vibrations