Geometry & MOs

Info

ID:

441302

PubChem CID:

135234011

Reduced:

ON2H34C52 (1)

Stoich.:

AB2C34D52 (1)

Weight, g/mol:

652.226312

ΔHf, kcal/mol:

320.86

Dipole, Da:

3.16

IP(EA), eV:

 -8.91(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=C(C=CC1C2=CC3=C(C=C2)OC4=CC=CC(=C43)C5=NC(=NC(=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=C(C=CC(=C8)C9=CC=CC#C9)C1=CC=CC=C1

DOS

IR

Vibrations