Geometry & MOs

Info

ID:	19131
PubChem CID:	555159
Reduced:	ClON2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	296.071641
ΔH_f, kcal/mol:	50.66
Dipole, Da:	4.17
IP(EA), eV:	-8.61(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations