Geometry & MOs

Info

ID:

441271

PubChem CID:

135233877

Reduced:

ON2H28C44 (1)

Stoich.:

AB2C28D44 (1)

Weight, g/mol:

654.241962

ΔHf, kcal/mol:

170.51

Dipole, Da:

2.22

IP(EA), eV:

 -8.39(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=C(C=C2C1OC3=CC=CC(=C32)C4=NC(=NC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

DOS

IR

Vibrations