Geometry & MOs

Info

ID:	12805
PubChem CID:	145761
Reduced:	OC2H2 (5)
Stoich.:	AB2C2 (5)
Weight, g/mol:	210.052823
ΔH_f, kcal/mol:	-159.7
Dipole, Da:	6.21
IP(EA), eV:	-8.99(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations