Geometry & MOs

Info

ID:	38128
PubChem CID:	8027268
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	306.134148
ΔH_f, kcal/mol:	-193.98
Dipole, Da:	6.68
IP(EA), eV:	-8.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S,3S)-2-(2,5-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN1[C@@H]([C@H](CCC1=O)C(=O)O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations