Geometry & MOs

Info

ID:	420771
PubChem CID:	135114788
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	338.147786
ΔH_f, kcal/mol:	-195.52
Dipole, Da:	2.94
IP(EA), eV:	-8.51(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=CC(=C(C(=C3)OC)O)OC

DOS

IR

Vibrations