Geometry & MOs

Info

ID:

432789

PubChem CID:

135172926

Reduced:

O2H29C42 (2)

Stoich.:

A2B29C42 (2)

Weight, g/mol:

794.318481

ΔHf, kcal/mol:

159.77

Dipole, Da:

0.88

IP(EA), eV:

 -8.6(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[4-[3-[4-[4-(4-hydroxyphenyl)phenyl]phenyl]-5-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenol

Drug info:

PubChemData

Smile

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