Geometry & MOs

Info

ID:	258782
PubChem CID:	103156972
Reduced:	ClN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	-165.46
Dipole, Da:	8.6
IP(EA), eV:	-9.08(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(piperidine-4-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC(=C(C=C1)Cl)N

DOS

IR

Vibrations