Geometry & MOs

Info

ID:	238966
PubChem CID:	93165790
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	326.09938
ΔH_f, kcal/mol:	-168.31
Dipole, Da:	7.73
IP(EA), eV:	-8.16(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-bromo-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)[C@@H]2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations