Geometry & MOs

Info

ID:	54967
PubChem CID:	17389601
Reduced:	NC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	243.084848
ΔH_f, kcal/mol:	17.72
Dipole, Da:	2.58
IP(EA), eV:	-8.58(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylsulfanylphenyl)piperidine;hydrochloride

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1C2CCCCN2

DOS

IR

Vibrations