Geometry & MOs

Info

ID:

426431

PubChem CID:

135144071

Reduced:

ON4H32C51 (1)

Stoich.:

AB4C32D51 (1)

Weight, g/mol:

703.298748

ΔHf, kcal/mol:

235.92

Dipole, Da:

1.29

IP(EA), eV:

 -8.25(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-9-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2O1

DOS

IR

Vibrations