Geometry & MOs

Info

ID:

325190

PubChem CID:

126681869

Reduced:

N5H33C53 (1)

Stoich.:

A5B33C53 (1)

Weight, g/mol:

791.304896

ΔHf, kcal/mol:

303.24

Dipole, Da:

1.8

IP(EA), eV:

 -8.56(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=NC(=NC(=N7)C8=CC=CC9=CC=CC=C98)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations