Geometry & MOs

Info

ID:	29530
PubChem CID:	834826
Reduced:	F3O4H7C12 (1)
Stoich.:	A3B4C7D12 (1)
Weight, g/mol:	332.036398
ΔH_f, kcal/mol:	-264.06
Dipole, Da:	8.05
IP(EA), eV:	-9.59(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-4-[3-(furan-2-yl)prop-2-enylidene]pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)O)OC(F)(F)F

DOS

IR

Vibrations