Geometry & MOs

Info

ID:	54784
PubChem CID:	17389271
Reduced:	ClNO3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	279.034833
ΔH_f, kcal/mol:	-154.1
Dipole, Da:	3.23
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dichlorophenyl)methyl]piperidine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=C(O1)C(=O)OC)C(C)C.Cl

DOS

IR

Vibrations