Geometry & MOs

Info

ID:	54994
PubChem CID:	17389635
Reduced:	NCl2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	145.092521
ΔH_f, kcal/mol:	-28.6
Dipole, Da:	0.66
IP(EA), eV:	-8.93(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylsulfanylmethyl)piperidine

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=CC=CC=C2Cl.Cl

DOS

IR

Vibrations