Geometry & MOs

Info

ID:	132369
PubChem CID:	51350215
Reduced:	O7H16C19 (1)
Stoich.:	A7B16C19 (1)
Weight, g/mol:	366.102272
ΔH_f, kcal/mol:	-231.69
Dipole, Da:	2.32
IP(EA), eV:	-9.22(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CO[C@H]1C[C@@H]2[C@@H](O1)OC3=CC(=C4C(=C23)OC5=CC=CC(=C5C4=O)O)OC

DOS

IR

Vibrations