Geometry & MOs

Info

ID:

329006

PubChem CID:

126730326

Reduced:

N7H43C66 (1)

Stoich.:

A7B43C66 (1)

Weight, g/mol:

832.356597

ΔHf, kcal/mol:

382.15

Dipole, Da:

3.84

IP(EA), eV:

 -7.82(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-carbazol-9-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4C#N)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=C6C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C#N

DOS

IR

Vibrations