Geometry & MOs

Info

ID:	146548
PubChem CID:	53704282
Reduced:	O2H10C11 (1)
Stoich.:	A2B10C11 (1)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	5.5
IP(EA), eV:	-9.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethyl)hexanoic acid

Drug info:

PubChemData

Smile

C=CC=CC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations