Geometry & MOs

Info

ID:	27030
PubChem CID:	812849
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	-58.29
Dipole, Da:	5.45
IP(EA), eV:	-9.13(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@H](C1)C2=NC(=NO2)C3=CC(=CC=C3)OC)Cl

DOS

IR

Vibrations