Geometry & MOs

Info

ID:

329347

PubChem CID:

126735055

Reduced:

N7H27C49 (1)

Stoich.:

A7B27C49 (1)

Weight, g/mol:

713.232794

ΔHf, kcal/mol:

333.8

Dipole, Da:

4.76

IP(EA), eV:

 -8.23(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]-2-(3-carbazol-9-ylcarbazol-9-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=NC(=NC(=C8)C9=CC=CC(=C9)C#N)C1=CC=CC(=C1)C#N)C#N

DOS

IR

Vibrations