Geometry & MOs

Info

ID:

328977

PubChem CID:

126729933

Reduced:

N5H49C72 (1)

Stoich.:

A5B49C72 (1)

Weight, g/mol:

983.398797

ΔHf, kcal/mol:

321.34

Dipole, Da:

3.54

IP(EA), eV:

 -7.9(-0.97)

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]-2,5-dimethylphenyl]carbazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N2C3=C(C=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64)C7=C2C=CC(=C7)N8C9=CC=CC=C9C1=CC=CC=C18)C)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations