Geometry & MOs

Info

ID:	238861
PubChem CID:	93165624
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	312.160456
ΔH_f, kcal/mol:	-85.92
Dipole, Da:	5.6
IP(EA), eV:	-8.57(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-chloro-4,5-dimethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1[C@@H](CN)C2=CC(=C(C(=C2)Cl)O)OC)C

DOS

IR

Vibrations