Geometry & MOs

Info

ID:	295721
PubChem CID:	117543403
Reduced:	N2O3C8H8 (1)
Stoich.:	A2B3C8D8 (1)
Weight, g/mol:	224.035255
ΔH_f, kcal/mol:	-50.07
Dipole, Da:	6.22
IP(EA), eV:	-8.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N1)C2=CC=CO2)O

DOS

IR

Vibrations