Geometry & MOs

Info

ID:

328986

PubChem CID:

126729958

Reduced:

N5H53C74 (1)

Stoich.:

A5B53C74 (1)

Weight, g/mol:

1011.430097

ΔHf, kcal/mol:

303.85

Dipole, Da:

3.11

IP(EA), eV:

 -7.96(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]phenyl]-3,6-di(carbazol-9-yl)carbazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC(=C(C(=C5)C)N6C7=C(C=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18)C1=C6C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C)C1=CC=CC=C1C

DOS

IR

Vibrations