Geometry & MOs

Info

ID:	293569
PubChem CID:	117393489
Reduced:	FO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	256.074702
ΔH_f, kcal/mol:	-238.47
Dipole, Da:	6.43
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2CCCC(=O)O)F)O

DOS

IR

Vibrations