Geometry & MOs

Info

ID:	294198
PubChem CID:	117434576
Reduced:	ClO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	272.081537
ΔH_f, kcal/mol:	-169.15
Dipole, Da:	8.57
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1Cl)CCC(=O)O)OC)OC

DOS

IR

Vibrations