Geometry & MOs

Info

ID:	337212
PubChem CID:	127256777
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	323.090606
ΔH_f, kcal/mol:	-95.6
Dipole, Da:	5.96
IP(EA), eV:	-8.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-methyl-4-[(4-nitrophenyl)methylidene]-2-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)OCCC

DOS

IR

Vibrations