Geometry & MOs

Info

ID:	54942
PubChem CID:	17389572
Reduced:	ClN2O4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	290.0266
ΔH_f, kcal/mol:	-135.94
Dipole, Da:	6.92
IP(EA), eV:	-10.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrobromide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=NO2)C(=O)O.Cl

DOS

IR

Vibrations