Geometry & MOs

Info

ID:	27254
PubChem CID:	819921
Reduced:	ClNF3O3C15H15 (1)
Stoich.:	ABC3D3E15F15 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-302.86
Dipole, Da:	6.21
IP(EA), eV:	-9.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylphenoxy)propanoic acid

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)O

DOS

IR

Vibrations