Geometry & MOs

Info

ID:	266433
PubChem CID:	103566189
Reduced:	NO5H11C14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-111.64
Dipole, Da:	4.93
IP(EA), eV:	-9.3(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-5-methoxyphenoxy)butanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCC2=C(OC=C2)C(=O)O

DOS

IR

Vibrations