Geometry & MOs

Info

ID:	71317
PubChem CID:	48414617
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	59.06
Dipole, Da:	4.57
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations