Geometry & MOs

Info

ID:	377439
PubChem CID:	134223491
Reduced:	ON2H34C51 (1)
Stoich.:	AB2C34D51 (1)
Weight, g/mol:	664.215078
ΔH_f, kcal/mol:	182.12
Dipole, Da:	1.77
IP(EA), eV:	-8.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)N(C9=C8C=CC1=C9OC2=CC=CC=C12)C1=CC=CC=C1)C

DOS

IR

Vibrations