Geometry & MOs

Info

ID:

329020

PubChem CID:

126730519

Reduced:

N7H35C61 (1)

Stoich.:

A7B35C61 (1)

Weight, g/mol:

814.259343

ΔHf, kcal/mol:

377.98

Dipole, Da:

4.66

IP(EA), eV:

 -8.14(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile

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)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