Geometry & MOs

Info

ID:

377578

PubChem CID:

134223637

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

228.0

Dipole, Da:

3.0

IP(EA), eV:

 -7.95(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-9-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)-[1]benzofuro[3,2-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=C2C2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations