Geometry & MOs

Info

ID:

329012

PubChem CID:

126730464

Reduced:

N2H21C28 (2)

Stoich.:

A2B21C28 (2)

Weight, g/mol:

666.278347

ΔHf, kcal/mol:

218.21

Dipole, Da:

4.0

IP(EA), eV:

 -7.95(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)C)C4=CC(=C(C(=C4)C)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C16)C

DOS

IR

Vibrations