Geometry & MOs

Info

ID:	238967
PubChem CID:	93165791
Reduced:	BrON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	326.09938
ΔH_f, kcal/mol:	-25.08
Dipole, Da:	2.25
IP(EA), eV:	-8.67(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations