Geometry & MOs

Info

ID:

329328

PubChem CID:

126734778

Reduced:

N7H27C49 (1)

Stoich.:

A7B27C49 (1)

Weight, g/mol:

688.237545

ΔHf, kcal/mol:

334.49

Dipole, Da:

5.95

IP(EA), eV:

 -8.15(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-carbazol-9-ylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=C(C=C(C=C7)C8=NC(=NC(=C8)C9=CC=C(C=C9)C#N)C1=CC=C(C=C1)C#N)C#N

DOS

IR

Vibrations