Geometry & MOs

Info

ID:	238829
PubChem CID:	93165571
Reduced:	ClON2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	310.181191
ΔH_f, kcal/mol:	-57.56
Dipole, Da:	4.99
IP(EA), eV:	-8.69(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(5-chloro-2-propoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Cl)[C@@H](CN)N2CCC[C@@H](C2)C

DOS

IR

Vibrations