Geometry & MOs

Info

ID:

165468

PubChem CID:

74553416

Reduced:

FNO3H9C11 (1)

Stoich.:

ABC3D9E11 (1)

Weight, g/mol:

142.025266

ΔHf, kcal/mol:

-85.03

Dipole, Da:

16.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.988515

Charge, e:

 -1

Chem-info

IUPAC name:

3-amino-5-oxo-1,4-dihydropyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)F)C(C1=O)CC(=O)[O-]

DOS

IR

Vibrations