Geometry & MOs

Info

ID:	71353
PubChem CID:	48414673
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-50.02
Dipole, Da:	3.98
IP(EA), eV:	-8.71(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations