Geometry & MOs

Info

ID:	377694
PubChem CID:	134223758
Reduced:	NOH14C24 (2)
Stoich.:	ABC14D24 (2)
Weight, g/mol:	664.215078
ΔH_f, kcal/mol:	159.18
Dipole, Da:	3.71
IP(EA), eV:	-8.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-9-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=C8C(=C6)C9=CC=CC=C9O8)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations