Geometry & MOs

Info

ID:	71713
PubChem CID:	48415248
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-1.0
Dipole, Da:	2.38
IP(EA), eV:	-8.69(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCOC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations