Geometry & MOs

Info

ID:

329331

PubChem CID:

126734785

Reduced:

N7H35C61 (1)

Stoich.:

A7B35C61 (1)

Weight, g/mol:

958.353243

ΔHf, kcal/mol:

377.31

Dipole, Da:

1.97

IP(EA), eV:

 -8.05(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=C(C=C(C=C8)C9=CC=C(C=C9)C1=NC(=NC(=C1)C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N)C#N

DOS

IR

Vibrations