Geometry & MOs

Info

ID:	29472
PubChem CID:	834065
Reduced:	ClN3O4H10C16 (1)
Stoich.:	AB3C4D10E16 (1)
Weight, g/mol:	343.035983
ΔH_f, kcal/mol:	6.0
Dipole, Da:	3.89
IP(EA), eV:	-9.15(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)NN(C2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations