Geometry & MOs

Info

ID:

377601

PubChem CID:

134223663

Reduced:

O2N5H33C57 (1)

Stoich.:

A2B5C33D57 (1)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

243.15

Dipole, Da:

1.92

IP(EA), eV:

 -8.26(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-phenyl-2-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)OC7=C6C=C8C9=CC=CC=C9N(C8=C7)C1=CC=CC=C1)C1=C3C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations