Geometry & MOs

Info

ID:	293883
PubChem CID:	117409687
Reduced:	F3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-289.13
Dipole, Da:	3.85
IP(EA), eV:	-9.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-2-[2-(3-oxopyrazolidin-1-yl)phenyl]acetate

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1)O)C(F)(F)F)C(=O)O

DOS

IR

Vibrations