Geometry & MOs

Info

ID:	283467
PubChem CID:	103984152
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-149.19
Dipole, Da:	6.66
IP(EA), eV:	-9.33(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-2-(3-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCOCC1(CCCNC1)C(=O)O

DOS

IR

Vibrations