Geometry & MOs

Info

ID:

441300

PubChem CID:

135234006

Reduced:

ON3H31C47 (1)

Stoich.:

AB3C31D47 (1)

Weight, g/mol:

705.278013

ΔHf, kcal/mol:

201.38

Dipole, Da:

2.69

IP(EA), eV:

 -8.58(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C2=NC(=NC(=N2)C3=C4C(=CC=C3)OC5=C4C=C(C=C5)C6=CC7=C(C=CC8=CC=CC=C87)C=C6)C9=CC=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations