Geometry & MOs

Info

ID:	38127
PubChem CID:	8027216
Reduced:	NO6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-174.46
Dipole, Da:	12.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773593
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(3,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1[C@H]([C@H](CC1=O)C(=O)[O-])C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations