Geometry & MOs

Info

ID:	31969
PubChem CID:	3726039
Reduced:	O3N4H8C9 (2)
Stoich.:	A3B4C8D9 (2)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-139.92
Dipole, Da:	5.72
IP(EA), eV:	-9.19(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)N(C(=N2)N=NC3=C(NC(=O)NC3=O)O)CC(C4=CC=CC=C4)O

DOS

IR

Vibrations