Geometry & MOs

Info

ID:	224558
PubChem CID:	85344771
Reduced:	F2O4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-276.32
Dipole, Da:	0.66
IP(EA), eV:	-10.42(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-12-methyl-3-oxatricyclo[6.3.1.04,11]dodec-9-en-5-one

Drug info:

PubChemData

Smile

CC1C(=C(F)F)CC(C(O1)O)OC(=O)C

DOS

IR

Vibrations