Geometry & MOs

Info

ID:	432788
PubChem CID:	135172925
Reduced:	ON6H19C21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	1130.43351
ΔH_f, kcal/mol:	129.34
Dipole, Da:	6.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.608750
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N/N=C/3\C(=O)C=CC4=CC=CC=C43)C

DOS

IR

Vibrations