Geometry & MOs

Info

ID:

329059

PubChem CID:

126730880

Reduced:

N5H31C47 (1)

Stoich.:

A5B31C47 (1)

Weight, g/mol:

692.268845

ΔHf, kcal/mol:

259.92

Dipole, Da:

1.74

IP(EA), eV:

 -8.78(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC(=C4)C5=CC=C(C6=CC=CC=C65)C7=CC(=NC(=C7)C8=CC=CC=N8)C9=CC=CC=N9

DOS

IR

Vibrations