Geometry & MOs

Info

ID:	260973
PubChem CID:	103211988
Reduced:	F2O2N3C12H21 (1)
Stoich.:	A2B2C3D12E21 (1)
Weight, g/mol:	302.051441
ΔH_f, kcal/mol:	-161.11
Dipole, Da:	4.48
IP(EA), eV:	-9.25(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCCCC1=NN=C(O1)CCOCC(F)F

DOS

IR

Vibrations