Geometry & MOs

Info

ID:	145966
PubChem CID:	53619121
Reduced:	NO2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	339.119461
ΔH_f, kcal/mol:	-176.55
Dipole, Da:	6.62
IP(EA), eV:	-8.54(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCOCC(CN(C)CCC(=O)NC1=CC=CC=C1)O

DOS

IR

Vibrations