Geometry & MOs

Info

ID:	293752
PubChem CID:	117400431
Reduced:	ClO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	258.065887
ΔH_f, kcal/mol:	-166.29
Dipole, Da:	3.79
IP(EA), eV:	-9.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-ethoxy-4-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C=CC(=C1)Cl)COC)O

DOS

IR

Vibrations