Geometry & MOs

Info

ID:	293309
PubChem CID:	117383986
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-182.15
Dipole, Da:	3.8
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethoxy-4,6-dimethylphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)C(C)C)C(C(=O)OC)O)O

DOS

IR

Vibrations