Geometry & MOs

Info

ID:

329034

PubChem CID:

126730712

Reduced:

N3H19C30 (2)

Stoich.:

A3B19C30 (2)

Weight, g/mol:

867.311044

ΔHf, kcal/mol:

347.09

Dipole, Da:

3.29

IP(EA), eV:

 -7.86(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4C#N)C5=CC=C(C=C5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C17)C#N

DOS

IR

Vibrations