Geometry & MOs

Info

ID:

329017

PubChem CID:

126730511

Reduced:

N4H17C31 (2)

Stoich.:

A4B17C31 (2)

Weight, g/mol:

815.304896

ΔHf, kcal/mol:

412.68

Dipole, Da:

7.64

IP(EA), eV:

 -8.18(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-(2,6-diphenylpyrimidin-4-yl)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=CC(=C(C(=C8)C#N)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