Geometry & MOs

Info

ID:

298423

PubChem CID:

117649408

Reduced:

N3H33C52 (1)

Stoich.:

A3B33C52 (1)

Weight, g/mol:

815.293663

ΔHf, kcal/mol:

239.9

Dipole, Da:

1.58

IP(EA), eV:

 -8.05(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC=C12

DOS

IR

Vibrations