Geometry & MOs

Info

ID:	370422
PubChem CID:	127338634
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	346.125275
ΔH_f, kcal/mol:	-11.39
Dipole, Da:	3.15
IP(EA), eV:	-9.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NOC=N2)C(=O)CCC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations