Geometry & MOs

Info

ID:	302922
PubChem CID:	124403672
Reduced:	O5C7H10 (2)
Stoich.:	A5B7C10 (2)
Weight, g/mol:	346.262028
ΔH_f, kcal/mol:	-465.01
Dipole, Da:	1.86
IP(EA), eV:	-10.81(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-(2-methylphenoxy)butanamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations