Geometry & MOs

Info

ID:	30281
PubChem CID:	841081
Reduced:	ClNSO2H12C17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	250.050905
ΔH_f, kcal/mol:	4.4
Dipole, Da:	2.65
IP(EA), eV:	-8.81(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloroacetyl)-5-methyl-2-phenyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations