Geometry & MOs

Info

ID:	68911
PubChem CID:	46511554
Reduced:	FSN3O5C25H26 (1)
Stoich.:	ABC3D5E25F26 (1)
Weight, g/mol:	395.182062
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	9.78
IP(EA), eV:	-9.16(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4)F

DOS

IR

Vibrations