Geometry & MOs

Info

ID:

311622

PubChem CID:

126595694

Reduced:

N7H29C52 (1)

Stoich.:

A7B29C52 (1)

Weight, g/mol:

675.217144

ΔHf, kcal/mol:

357.66

Dipole, Da:

6.32

IP(EA), eV:

 -7.88(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-(N-[9-(2,4-dicyanophenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=C(C=C(C=C6)C#N)C#N)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=C(C=C(C=C1)C#N)C#N

DOS

IR

Vibrations