Geometry & MOs

Info

ID:

316234

PubChem CID:

126630427

Reduced:

N3H37C57 (1)

Stoich.:

A3B37C57 (1)

Weight, g/mol:

713.283098

ΔHf, kcal/mol:

248.34

Dipole, Da:

3.3

IP(EA), eV:

 -7.91(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-methyl-8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]benzo[a]carbazole

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC(=C54)C6=CC7=C(C=C6)N(C8=C7C=CC9=CC=CC=C98)C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=CC1=CC=CC=C12

DOS

IR

Vibrations