Geometry & MOs

Info

ID:

316233

PubChem CID:

126630426

Reduced:

N3H37C57 (1)

Stoich.:

A3B37C57 (1)

Weight, g/mol:

763.298748

ΔHf, kcal/mol:

251.45

Dipole, Da:

2.13

IP(EA), eV:

 -7.85(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-methyl-10-[9-phenyl-5-(11-phenylbenzo[a]carbazol-8-yl)carbazol-3-yl]benzo[c]carbazole

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C6=CC=CC=C6C=C5)C7=CC=CC=C7)C8=C(C=CC=C81)C9=CC1=C(C=C9)N(C2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations