Geometry & MOs

Info

ID:	261235
PubChem CID:	103223943
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-110.19
Dipole, Da:	1.77
IP(EA), eV:	-9.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(2-propan-2-ylphenoxy)propanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)OC1=CC=C(C=C1)C#N

DOS

IR

Vibrations