Geometry & MOs

Info

ID:	264241
PubChem CID:	103445420
Reduced:	ClN3O3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	305.017889
ΔH_f, kcal/mol:	-19.21
Dipole, Da:	4.94
IP(EA), eV:	-10.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-chloropyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-one

Drug info:

PubChemData

Smile

COCC(=O)CC1=NC(=NO1)C2=C(C=CC=N2)Cl

DOS

IR

Vibrations