Geometry & MOs

Info

ID:	22119
PubChem CID:	596026
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-153.42
Dipole, Da:	7.77
IP(EA), eV:	-9.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-acetyl-3-methoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC=C1OC)CC(=O)O

DOS

IR

Vibrations