Geometry & MOs

Info

ID:	49040
PubChem CID:	11528644
Reduced:	F3O3H7C9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-259.04
Dipole, Da:	4.92
IP(EA), eV:	-9.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-carbaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations