Geometry & MOs

Info

ID:	294462
PubChem CID:	117462246
Reduced:	ClO6H11C12 (1)
Stoich.:	AB6C11D12 (1)
Weight, g/mol:	286.060801
ΔH_f, kcal/mol:	-212.45
Dipole, Da:	6.65
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC(=C(C2=C1OCCO2)C=O)Cl)O

DOS

IR

Vibrations