Geometry & MOs

Info

ID:

329301

PubChem CID:

126734392

Reduced:

N4H18C31 (2)

Stoich.:

A4B18C31 (2)

Weight, g/mol:

1030.353243

ΔHf, kcal/mol:

412.09

Dipole, Da:

5.06

IP(EA), eV:

 -8.05(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC(=C(C=C6C#N)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=NC(=NC(=C9)C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N)C#N

DOS

IR

Vibrations