Geometry & MOs

Info

ID:	405771
PubChem CID:	135075429
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	224.048487
ΔH_f, kcal/mol:	-200.62
Dipole, Da:	3.25
IP(EA), eV:	-10.97(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-fluoro-5,6-dihydroxy-2-methyl-1-benzofuran-3-yl)ethanone

Drug info:

PubChemData

Smile

CCCC[C@@H](COC(=O)C)OC=O

DOS

IR

Vibrations