Geometry & MOs

Info

ID:	238937
PubChem CID:	93165748
Reduced:	ON2C20H34 (1)
Stoich.:	AB2C20D34 (1)
Weight, g/mol:	318.267114
ΔH_f, kcal/mol:	-60.81
Dipole, Da:	2.32
IP(EA), eV:	-8.53(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)[C@H](CN)N2CCC[C@@H](C2)C

DOS

IR

Vibrations