Geometry & MOs

Info

ID:

329018

PubChem CID:

126730517

Reduced:

N5H37C59 (1)

Stoich.:

A5B37C59 (1)

Weight, g/mol:

840.300145

ΔHf, kcal/mol:

313.81

Dipole, Da:

4.25

IP(EA), eV:

 -8.04(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC=C17)C#N

DOS

IR

Vibrations