Geometry & MOs

Info

ID:	359086
PubChem CID:	127297331
Reduced:	ClSN3O3C17H24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-103.85
Dipole, Da:	3.41
IP(EA), eV:	-9.01(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclohex-2-en-1-ylpiperazin-1-yl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations