Geometry & MOs

Info

ID:	37159
PubChem CID:	8017613
Reduced:	ClN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-118.32
Dipole, Da:	2.16
IP(EA), eV:	-8.09(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations