Geometry & MOs

Info

ID:	177428
PubChem CID:	76184372
Reduced:	Cl2N2O4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	394.0052
ΔH_f, kcal/mol:	-177.25
Dipole, Da:	8.4
IP(EA), eV:	-9.17(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-bromo-4,5-dimethoxyphenyl)-1-hydroxyprop-2-enylidene]-6-methylpyran-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(C(C(=O)N2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations