Geometry & MOs

Info

ID:	166093
PubChem CID:	74636992
Reduced:	OS3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	109.84
Dipole, Da:	3.22
IP(EA), eV:	-8.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C5CC5

DOS

IR

Vibrations