Geometry & MOs

Info

ID:	49059
PubChem CID:	11528664
Reduced:	OF2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-112.8
Dipole, Da:	6.33
IP(EA), eV:	-9.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,6-dimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1)C(=O)C(C=C2)(F)F

DOS

IR

Vibrations