Geometry & MOs

Info

ID:	147172
PubChem CID:	53786825
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-130.8
Dipole, Da:	3.07
IP(EA), eV:	-8.72(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-diethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H]1CCCC[C@@H]1C(C2=CC(=CC=C2)OC)N(C)C

DOS

IR

Vibrations