Geometry & MOs

Info

ID:	138332
PubChem CID:	52349107
Reduced:	NO2S2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	368.140389
ΔH_f, kcal/mol:	-7.22
Dipole, Da:	5.04
IP(EA), eV:	-8.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCC3=C([C@H]2C4=CC=CS4)C=CS3

DOS

IR

Vibrations