Geometry & MOs

Info

ID:	319533
PubChem CID:	126656560
Reduced:	ON6H30C49 (1)
Stoich.:	AB6C30D49 (1)
Weight, g/mol:	739.262363
ΔH_f, kcal/mol:	264.12
Dipole, Da:	2.08
IP(EA), eV:	-8.43(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-bis(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)N4C5=CC=CC=C5C6=C(C=C7C8=CC=CC=C8OC7=C64)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations