Geometry & MOs

Info

ID:	407931
PubChem CID:	135080686
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	268.038316
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	3.44
IP(EA), eV:	-8.88(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-5,8-dihydroxy-2,2-dimethyl-[1,3]dioxino[4,5-b][1]benzofuran-4-one

Drug info:

PubChemData

Smile

C[C@](CCC1=CC=C(C=C1)OC)(C#N)O

DOS

IR

Vibrations