Geometry & MOs

Info

ID:	310268
PubChem CID:	126577721
Reduced:	ON3H21C36 (1)
Stoich.:	AB3C21D36 (1)
Weight, g/mol:	524.152478
ΔH_f, kcal/mol:	176.44
Dipole, Da:	4.72
IP(EA), eV:	-8.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C=CC(=C4C#N)C5=CC=CC=N5)C6=CC7=C(C=C6)OC8=CC=CC=C87

DOS

IR

Vibrations