Geometry & MOs

Info

ID:

377438

PubChem CID:

134223490

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

229.4

Dipole, Da:

2.02

IP(EA), eV:

 -7.9(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=CC7=C6OC8=CC=CC=C78)C9=CC=CC=C9)C1=C2C2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations