Geometry & MOs

Info

ID:	420441
PubChem CID:	135113178
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-69.31
Dipole, Da:	5.99
IP(EA), eV:	-9.37(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2,6-dimethylpyridine-4-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(ON=C1NCCOC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations