Geometry & MOs

Info

ID:	9460
PubChem CID:	89727
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	226.084124
ΔH_f, kcal/mol:	-180.13
Dipole, Da:	5.78
IP(EA), eV:	-9.17(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,4-trimethoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC(=O)O)OC)OC

DOS

IR

Vibrations