Geometry & MOs

Info

ID:

377139

PubChem CID:

134223177

Reduced:

N2H12C19 (3)

Stoich.:

A2B12C19 (3)

Weight, g/mol:

736.266068

ΔHf, kcal/mol:

335.45

Dipole, Da:

6.28

IP(EA), eV:

 -8.37(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(8-cyclohexa-2,4-dien-1-yldibenzothiophen-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,4a-dihydrocarbazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=CC=CC=C2)C3=C(C(=C(C(=C3N4C5=CC=CC=C5C6=CC=CC=C64)N7C8=CC=CC=C8C9=CC=CC=C97)C#N)N1C2=CC=CC=C2C2=CC=CC=C21)C#N

DOS

IR

Vibrations