Geometry & MOs

Info

ID:	202052
PubChem CID:	79622493
Reduced:	ClNSO3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	302.979
ΔH_f, kcal/mol:	-129.04
Dipole, Da:	2.43
IP(EA), eV:	-8.98(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(iodomethyl)-1-methylsulfonylpiperidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)OCC2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations