Geometry & MOs

Info

ID:	9575
PubChem CID:	91131
Reduced:	O5C12H14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	238.084124
ΔH_f, kcal/mol:	-161.8
Dipole, Da:	7.79
IP(EA), eV:	-8.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C=CC(=O)O)OC)OC

DOS

IR

Vibrations