Geometry & MOs

Info

ID:	294197
PubChem CID:	117434562
Reduced:	ClO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	272.081537
ΔH_f, kcal/mol:	-172.65
Dipole, Da:	5.6
IP(EA), eV:	-8.97(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1C(C(=O)OC)O)Cl)OC

DOS

IR

Vibrations