Geometry & MOs

Info

ID:	240820
PubChem CID:	93617679
Reduced:	OSN2F3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	305.135111
ΔH_f, kcal/mol:	-186.82
Dipole, Da:	5.05
IP(EA), eV:	-9.7(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC[C@@H](C2)C(F)(F)F

DOS

IR

Vibrations