Geometry & MOs

Info

ID:	295720
PubChem CID:	117543360
Reduced:	ClN2O2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	180.053492
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	3.33
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-yl)-3-hydroxy-2-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(NNC2=O)O)Cl

DOS

IR

Vibrations