Geometry & MOs

Info

ID:	8984
PubChem CID:	84534
Reduced:	ClON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	208.040341
ΔH_f, kcal/mol:	6.42
Dipole, Da:	2.72
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1)C2=CC=CC=C2Cl

DOS

IR

Vibrations