Geometry & MOs

Info

ID:

328976

PubChem CID:

126729916

Reduced:

N5H47C71 (1)

Stoich.:

A5B47C71 (1)

Weight, g/mol:

983.398797

ΔHf, kcal/mol:

330.72

Dipole, Da:

3.39

IP(EA), eV:

 -8.01(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=C(C=C2)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=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations