Geometry & MOs

Info

ID:	272277
PubChem CID:	103737468
Reduced:	ClN3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-20.6
Dipole, Da:	4.24
IP(EA), eV:	-10.23(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC1)CNC(=O)C2=C(C(=NC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations