Geometry & MOs

Info

ID:	293568
PubChem CID:	117393472
Reduced:	ON2F3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	256.074702
ΔH_f, kcal/mol:	-112.45
Dipole, Da:	3.68
IP(EA), eV:	-9.39(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C(=C1)F)F)C2=NOC(=C2)N)F

DOS

IR

Vibrations