Geometry & MOs

Info

ID:	89810
PubChem CID:	49964787
Reduced:	ClN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-69.55
Dipole, Da:	3.04
IP(EA), eV:	-8.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[1-(2-amino-4,5-dimethylanilino)ethylidene]-6-methylpyran-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3=C(C(=O)N2CC(OC)OC)NN=C3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations