Geometry & MOs

Info

ID:	238827
PubChem CID:	93165568
Reduced:	ClON2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	310.181191
ΔH_f, kcal/mol:	-49.05
Dipole, Da:	1.76
IP(EA), eV:	-8.62(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5-chloro-2-ethoxyphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanamine

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1[C@@H](CN)C2=C(C=CC(=C2)Cl)OCC

DOS

IR

Vibrations