Geometry & MOs

Info

ID:	366004
PubChem CID:	127319309
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	315.094309
ΔH_f, kcal/mol:	51.33
Dipole, Da:	4.89
IP(EA), eV:	-9.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC2=NC(=NO2)CN3C=CC=N3

DOS

IR

Vibrations