Geometry & MOs

Info

ID:	310271
PubChem CID:	126577748
Reduced:	O2N3H19C38 (1)
Stoich.:	A2B3C19D38 (1)
Weight, g/mol:	524.152478
ΔH_f, kcal/mol:	169.06
Dipole, Da:	3.56
IP(EA), eV:	-8.58(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C(C=C(C=C4)C#N)C5=CC6=C(C=C5)OC7=C6C=C(C=C7)C#N)C8=C(C=C3)OC9=CC=CC=C98

DOS

IR

Vibrations