Geometry & MOs

Info

ID:	238828
PubChem CID:	93165569
Reduced:	ClON2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	310.181191
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	3.72
IP(EA), eV:	-8.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Cl)[C@@H](CN)N2C[C@H](C[C@@H](C2)C)C

DOS

IR

Vibrations