Geometry & MOs

Info

ID:	266571
PubChem CID:	103572083
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	196.084792
ΔH_f, kcal/mol:	2.31
Dipole, Da:	0.9
IP(EA), eV:	-9.18(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-3-(1-propylpyrazol-4-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C(C(=O)N)NC2CC2

DOS

IR

Vibrations