Geometry & MOs

Info

ID:	257478
PubChem CID:	103146478
Reduced:	F2N2O5C9H12 (1)
Stoich.:	A2B2C5D9E12 (1)
Weight, g/mol:	298.076513
ΔH_f, kcal/mol:	-243.7
Dipole, Da:	1.98
IP(EA), eV:	-10.66(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid

Drug info:

PubChemData

Smile

C(COCC(F)F)C1=NOC(=N1)COCC(=O)O

DOS

IR

Vibrations