Geometry & MOs

Info

ID:	294342
PubChem CID:	117453737
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	-204.2
Dipole, Da:	6.0
IP(EA), eV:	-8.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-2-(thietan-3-yloxy)phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations