Geometry & MOs

Info

ID:

432825

PubChem CID:

135172962

Reduced:

OH25C39 (2)

Stoich.:

AB25C39 (2)

Weight, g/mol:

1046.412381

ΔHf, kcal/mol:

235.94

Dipole, Da:

1.46

IP(EA), eV:

 -8.45(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2-[4-[1-(4-methoxyphenyl)-3,4-diphenyltriphenylen-2-yl]phenyl]-3,4-diphenyltriphenylene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=C(C4=CC=CC=C4C5=CC=CC=C53)C(=C2C6=CC=C(C=C6)C7=C(C8=C(C9=CC=CC=C9C1=CC=CC=C18)C(=C7C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)C1=CC=CC=C1

DOS

IR

Vibrations