Geometry & MOs

Info

ID:	292690
PubChem CID:	117357092
Reduced:	F2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	242.075451
ΔH_f, kcal/mol:	-205.1
Dipole, Da:	5.64
IP(EA), eV:	-9.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C2(CC2)C(=O)O)O)C(F)F

DOS

IR

Vibrations