Geometry & MOs

Info

ID:	25536
PubChem CID:	626301
Reduced:	O3N4H10C15 (1)
Stoich.:	A3B4C10D15 (1)
Weight, g/mol:	294.100442
ΔH_f, kcal/mol:	58.57
Dipole, Da:	5.06
IP(EA), eV:	-9.68(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC2=NC=CN=C2C=C1N=CC3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations