Geometry & MOs

Info

ID:	124127
PubChem CID:	50872822
Reduced:	BrOCl2N2H9C17 (1)
Stoich.:	ABC2D2E9F17 (1)
Weight, g/mol:	515.96431
ΔH_f, kcal/mol:	77.11
Dipole, Da:	5.08
IP(EA), eV:	-9.6(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)COC2=C(C=C(C=C2)Br)C=C(C#N)C#N

DOS

IR

Vibrations