Geometry & MOs

Info

ID:

329329

PubChem CID:

126734781

Reduced:

N3H14C24 (2)

Stoich.:

A3B14C24 (2)

Weight, g/mol:

739.273596

ΔHf, kcal/mol:

306.2

Dipole, Da:

5.47

IP(EA), eV:

 -8.07(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=C(C(=C4)C#N)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C15)C#N

DOS

IR

Vibrations