Geometry & MOs

Info

ID:

329302

PubChem CID:

126734403

Reduced:

N8H42C73 (1)

Stoich.:

A8B42C73 (1)

Weight, g/mol:

1030.353243

ΔHf, kcal/mol:

437.4

Dipole, Da:

3.32

IP(EA), eV:

 -8.05(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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=CC=C(C=C1)C1=C(C=C(C=C1)C1=CC=C(C=C1)C1=NC(=NC(=C1)C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N)C#N

DOS

IR

Vibrations