Geometry & MOs

Info

ID:	202051
PubChem CID:	79622126
Reduced:	SN2O2C13H28 (1)
Stoich.:	AB2C2D13E28 (1)
Weight, g/mol:	317.085242
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	4.93
IP(EA), eV:	-8.89(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2-methylphenoxy)methyl]-1-methylsulfonylpiperidine

Drug info:

PubChemData

Smile

CCC(C)(CC1CCCN(C1)S(=O)(=O)C)CNC

DOS

IR

Vibrations