Geometry & MOs

Info

ID:	126291
PubChem CID:	50958957
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	251.101839
ΔH_f, kcal/mol:	-65.59
Dipole, Da:	3.62
IP(EA), eV:	-8.83(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-ethylpyrazol-4-yl)-5-oxo-1H-1,2,4-triazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=NNC2=O)CCCN3CCOCC3

DOS

IR

Vibrations