Geometry & MOs

Info

ID:	293421
PubChem CID:	117388326
Reduced:	F2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	254.079038
ΔH_f, kcal/mol:	-185.21
Dipole, Da:	3.76
IP(EA), eV:	-9.42(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C(C=C2C(=C1F)C=CO2)F

DOS

IR

Vibrations