Geometry & MOs

Info

ID:

329327

PubChem CID:

126734777

Reduced:

N7H27C49 (1)

Stoich.:

A7B27C49 (1)

Weight, g/mol:

713.232794

ΔHf, kcal/mol:

330.48

Dipole, Da:

7.09

IP(EA), eV:

 -8.81(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-2-(3-carbazol-9-ylcarbazol-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=C4)N5C6=C(C=C(C=C6)N7C8=C(C=C(C=C8)C#N)C9=C7C=CC(=C9)C#N)C1=CC=CC=C15)C#N

DOS

IR

Vibrations