Geometry & MOs

Info

ID:

298879

PubChem CID:

117662666

Reduced:

N2H19C27 (2)

Stoich.:

A2B19C27 (2)

Weight, g/mol:

690.278347

ΔHf, kcal/mol:

249.62

Dipole, Da:

1.58

IP(EA), eV:

 -8.37(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(2,6-dimethylpyridin-4-yl)phenyl]-5-pyren-4-ylphenyl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC(=CC(=C4)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=C9C=CC=CC9=CC1=CC=CC=C18

DOS

IR

Vibrations