Geometry & MOs

Info

ID:	257475
PubChem CID:	103146469
Reduced:	N2F3O5C11H13 (1)
Stoich.:	A2B3C5D11E13 (1)
Weight, g/mol:	310.114042
ΔH_f, kcal/mol:	-313.94
Dipole, Da:	6.72
IP(EA), eV:	-10.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butanoic acid

Drug info:

PubChemData

Smile

C1CC(OC1C2=NC(=NO2)CCOCC(F)(F)F)C(=O)O

DOS

IR

Vibrations