Geometry & MOs

Info

ID:

329306

PubChem CID:

126734463

Reduced:

N7H35C61 (1)

Stoich.:

A7B35C61 (1)

Weight, g/mol:

865.295394

ΔHf, kcal/mol:

376.96

Dipole, Da:

3.49

IP(EA), eV:

 -8.08(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]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)C9=CC=C(C=C9)C1=CC(=NC(=N1)C1=CC=CC(=C1)C#N)C1=CC=CC(=C1)C#N)C#N

DOS

IR

Vibrations