Geometry & MOs

Info

ID:

311229

PubChem CID:

126589987

Reduced:

NH37C49 (1)

Stoich.:

AB37C49 (1)

Weight, g/mol:

739.298748

ΔHf, kcal/mol:

255.39

Dipole, Da:

0.55

IP(EA), eV:

 -8.22(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[3-[4-[9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=CC(=C2)C3=CC=C(C=C3)C4=CC5C(C=C4)N(C6=CC=CC=C56)C7=CC=CC=C7)C(=C)C8=CC=CC9=CC=CC=C98

DOS

IR

Vibrations