Geometry & MOs

Info

ID:

329322

PubChem CID:

126734626

Reduced:

N9H33C62 (1)

Stoich.:

A9B33C62 (1)

Weight, g/mol:

865.295394

ΔHf, kcal/mol:

431.12

Dipole, Da:

1.71

IP(EA), eV:

 -8.2(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[9-[4-[4-[3-cyano-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=C(C=C(C=C1C#N)C1=NC(=NC(=C1)C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N)C#N

DOS

IR

Vibrations