Geometry & MOs

Info

ID:	124591
PubChem CID:	50888514
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	334.10659
ΔH_f, kcal/mol:	-14.82
Dipole, Da:	2.8
IP(EA), eV:	-8.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-methyl-4-[(1-oxo-3H-2-benzofuran-5-yl)hydrazinylidene]-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)N)C

DOS

IR

Vibrations