Geometry & MOs

Info

ID:	257458
PubChem CID:	103146346
Reduced:	F2O2N4C11H12 (1)
Stoich.:	A2B2C4D11E12 (1)
Weight, g/mol:	263.108148
ΔH_f, kcal/mol:	-88.52
Dipole, Da:	5.46
IP(EA), eV:	-9.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-5-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1=C(C=NC=C1N)C2=NC(=NO2)CCOCC(F)F

DOS

IR

Vibrations