Geometry & MOs

Info

ID:	238780
PubChem CID:	93165488
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	3.8
IP(EA), eV:	-8.22(0.18)
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-3-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1[C@@H](CN)C2=C(C(=CC=C2)OC)OCC

DOS

IR

Vibrations