Geometry & MOs

Info

ID:	71316
PubChem CID:	48414616
Reduced:	ClFON2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-19.38
Dipole, Da:	3.51
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations