Geometry & MOs

Info

ID:	139574
PubChem CID:	52561066
Reduced:	ON4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	295.133907
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	4.07
IP(EA), eV:	-9.18(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(2-chlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetate

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)[C@H]3CCCN(C3)C(=O)CCC4CCCC4

DOS

IR

Vibrations