Geometry & MOs

Info

ID:

377710

PubChem CID:

134223774

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

223.03

Dipole, Da:

2.72

IP(EA), eV:

 -7.97(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(11,12-diphenylindolo[2,3-a]carbazol-3-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)C6=C(N5C7=CC=CC=C7)C8=C(C=C6)C9=CC=CC=C9O8)C1=C2C=C2C(=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations