Geometry & MOs

Info

ID:	238789
PubChem CID:	93165505
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	0.43
IP(EA), eV:	-8.17(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-methoxy-4-propoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations