Geometry & MOs

Info

ID:

441267

PubChem CID:

135233865

Reduced:

ON4H30C46 (1)

Stoich.:

AB4C30D46 (1)

Weight, g/mol:

629.246713

ΔHf, kcal/mol:

252.75

Dipole, Da:

5.36

IP(EA), eV:

 -9.22(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)C4C=CC=C5C4C6=C(O5)C=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC(=C8)C#N)C9=CC=CC=C9

DOS

IR

Vibrations