Geometry & MOs

Info

ID:	202067
PubChem CID:	79623077
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	291.080826
ΔH_f, kcal/mol:	-137.99
Dipole, Da:	6.4
IP(EA), eV:	-8.9(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(chloromethyl)pyrazol-1-yl]methyl]-1-methylsulfonylpiperidine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CN2CCC(CC2)C=O

DOS

IR

Vibrations