Geometry & MOs

Info

ID:

329321

PubChem CID:

126734616

Reduced:

N7H43C66 (1)

Stoich.:

A7B43C66 (1)

Weight, g/mol:

903.285892

ΔHf, kcal/mol:

381.15

Dipole, Da:

4.01

IP(EA), eV:

 -7.68(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=C(C(=C4)C#N)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=C6C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C#N

DOS

IR

Vibrations