Geometry & MOs

Info

ID:

432792

PubChem CID:

135172929

Reduced:

OH42C60 (1)

Stoich.:

AB42C60 (1)

Weight, g/mol:

1054.40221

ΔHf, kcal/mol:

196.96

Dipole, Da:

1.2

IP(EA), eV:

 -8.77(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[4-[3,4-bis(4-hydroxyphenyl)-2,5,6-triphenylphenyl]phenyl]-2-(4-hydroxyphenyl)-3,5,6-triphenylphenyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C(=C(C(=C5C6=CC=CC=C6)C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations