Geometry & MOs

Info

ID:	182948
PubChem CID:	76962070
Reduced:	HgNaN4O8C21H21 (1)
Stoich.:	ABC4D8E21F21 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-213.9
Dipole, Da:	19.12
IP(EA), eV:	-9.27(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3S)-3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]-1-phenylethanone

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)NC=N2.CO[C@@H](CC1=CC=CC2=C1OC(=O)C(=C2)C(=O)[O-])C[Hg+].[OH-].[Na+]

DOS

IR

Vibrations