Geometry & MOs

Info

ID:	27024
PubChem CID:	812619
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-10.43
Dipole, Da:	5.18
IP(EA), eV:	-9.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-chloro-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=NC(=NO2)C3=CC=CC=C3)C(=O)C4CCCC4

DOS

IR

Vibrations