Geometry & MOs

Info

ID:	284909
PubChem CID:	104082419
Reduced:	SO3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	5.28
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-3-ylmethoxy)hexanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)OCCC1=CC=CS1

DOS

IR

Vibrations