Geometry & MOs

Info

ID:

329348

PubChem CID:

126735064

Reduced:

N7H27C49 (1)

Stoich.:

A7B27C49 (1)

Weight, g/mol:

867.311044

ΔHf, kcal/mol:

335.34

Dipole, Da:

4.66

IP(EA), eV:

 -8.1(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=NC(=NC(=C2)C3=CC(=C(C=C3)N4C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC=C94)C#N)C1=CC=CC=C1C#N

DOS

IR

Vibrations