Geometry & MOs

Info

ID:	238862
PubChem CID:	93165626
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	312.160456
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	3.21
IP(EA), eV:	-8.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)[C@@H](CN)C2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations