Geometry & MOs

Info

ID:

316227

PubChem CID:

126630420

Reduced:

N3H37C57 (1)

Stoich.:

A3B37C57 (1)

Weight, g/mol:

713.283098

ΔHf, kcal/mol:

249.51

Dipole, Da:

0.93

IP(EA), eV:

 -7.88(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]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)C2=CC3=CC=CC=C3C=C2N1C1=CC=CC=C1

DOS

IR

Vibrations