Geometry & MOs

Info

ID:

329330

PubChem CID:

126734782

Reduced:

N5H33C53 (1)

Stoich.:

A5B33C53 (1)

Weight, g/mol:

865.295394

ΔHf, kcal/mol:

291.15

Dipole, Da:

5.31

IP(EA), eV:

 -8.03(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C16)C#N

DOS

IR

Vibrations