Geometry & MOs

Info

ID:	238779
PubChem CID:	93165483
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	1.48
IP(EA), eV:	-8.0(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-ethoxy-3-methoxyphenyl)-2-[(2R)-2-ethylpiperidin-1-yl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations