Geometry & MOs

Info

ID:	257583
PubChem CID:	103147209
Reduced:	F2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	262.138051
ΔH_f, kcal/mol:	-208.41
Dipole, Da:	3.97
IP(EA), eV:	-8.8(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)CCOCC(F)F

DOS

IR

Vibrations