Geometry & MOs

Info

ID:

328992

PubChem CID:

126730022

Reduced:

N5H39C59 (1)

Stoich.:

A5B39C59 (1)

Weight, g/mol:

997.414447

ΔHf, kcal/mol:

285.62

Dipole, Da:

2.8

IP(EA), eV:

 -8.01(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]phenyl]carbazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=CC(=N2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=C4C=CC(=C9)N1C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations