Geometry & MOs

Info

ID:	26177
PubChem CID:	640098
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	348.136159
ΔH_f, kcal/mol:	-81.79
Dipole, Da:	6.68
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(phenylmethoxy)phenyl]acetic acid

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(C1=O)C=CC3=CC(=C(C=C23)OC)OC

DOS

IR

Vibrations