Geometry & MOs

Info

ID:	8106
PubChem CID:	75019
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-148.57
Dipole, Da:	6.39
IP(EA), eV:	-8.55(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations