Geometry & MOs

Info

ID:	238788
PubChem CID:	93165504
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-90.03
Dipole, Da:	5.44
IP(EA), eV:	-8.38(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations