Geometry & MOs

Info

ID:	266556
PubChem CID:	103570635
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	3.72
IP(EA), eV:	-9.49(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethylpyrazol-4-yl)-5-oxo-4-propylmorpholine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(C(C)C(=O)OC)O

DOS

IR

Vibrations