Geometry & MOs

Info

ID:	71307
PubChem CID:	48414599
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	79.91
Dipole, Da:	3.25
IP(EA), eV:	-9.07(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC=C3

DOS

IR

Vibrations