Geometry & MOs

Info

ID:	266434
PubChem CID:	103566203
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	251.079373
ΔH_f, kcal/mol:	-120.35
Dipole, Da:	4.92
IP(EA), eV:	-9.74(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyano-5-methoxyphenoxy)-2-hydroxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)OC1=CC(=CC(=C1)OC)C#N

DOS

IR

Vibrations