Geometry & MOs

Info

ID:	238787
PubChem CID:	93165503
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-87.51
Dipole, Da:	3.32
IP(EA), eV:	-8.28(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(2-ethoxy-4-methoxyphenyl)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