Geometry & MOs

Info

ID:	295722
PubChem CID:	117543418
Reduced:	ClN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-28.45
Dipole, Da:	6.46
IP(EA), eV:	-8.93(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)phenyl]-3-hydroxy-2-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N1)C2=CC=CC=C2Cl)O

DOS

IR

Vibrations