Geometry & MOs

Info

ID:	294446
PubChem CID:	117461621
Reduced:	O5H14C16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	286.051109
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	5.88
IP(EA), eV:	-9.08(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=CC=C2)C(=O)C(=O)O

DOS

IR

Vibrations