Geometry & MOs

Info

ID:

328984

PubChem CID:

126729945

Reduced:

N5H51C73 (1)

Stoich.:

A5B51C73 (1)

Weight, g/mol:

1011.430097

ΔHf, kcal/mol:

310.09

Dipole, Da:

4.45

IP(EA), eV:

 -8.0(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C5=C(C=C(C=C5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=C7C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C

DOS

IR

Vibrations