Geometry & MOs

Info

ID:

329342

PubChem CID:

126734988

Reduced:

N9H41C74 (1)

Stoich.:

A9B41C74 (1)

Weight, g/mol:

929.326694

ΔHf, kcal/mol:

465.34

Dipole, Da:

8.63

IP(EA), eV:

 -8.5(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-(2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)N7C8=C(C=C(C=C8)C#N)C9=CC=CC=C97)C1=CC=C(C=C1)C1=CC=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=CC(=C3)C#N

DOS

IR

Vibrations