Geometry & MOs

Info

ID:	29175
PubChem CID:	832155
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	57.75
Dipole, Da:	1.48
IP(EA), eV:	-8.52(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3,4-dimethylphenyl)-4-[(2-ethoxyphenyl)methylidene]pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC=CN3

DOS

IR

Vibrations