Geometry & MOs

Info

ID:	29471
PubChem CID:	834062
Reduced:	ClN2O3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	343.035983
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	6.02
IP(EA), eV:	-8.83(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(4-chlorophenyl)-4-[(3-nitrophenyl)methylidene]pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations