Geometry & MOs

Info

ID:	377618
PubChem CID:	134223681
Reduced:	OSN2H28C48 (1)
Stoich.:	ABC2D28E48 (1)
Weight, g/mol:	664.215078
ΔH_f, kcal/mol:	191.26
Dipole, Da:	3.23
IP(EA), eV:	-8.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-10-(12-phenyl-[1]benzofuro[2,3-a]carbazol-2-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=C8C9=CC=CC=C9OC8=C6)C1=C2C=C2C3=CC=CC=C3SC2=C1

DOS

IR

Vibrations