Geometry & MOs

Info

ID:	238935
PubChem CID:	93165746
Reduced:	ON2C20H34 (1)
Stoich.:	AB2C20D34 (1)
Weight, g/mol:	318.267114
ΔH_f, kcal/mol:	-60.8
Dipole, Da:	1.99
IP(EA), eV:	-8.46(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-hexoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

Drug info:

PubChemData

Smile

CCCCCOC1=CC=CC(=C1)[C@H](CN)N2C[C@H](C[C@@H](C2)C)C

DOS

IR

Vibrations