Geometry & MOs

Info

ID:	378425
PubChem CID:	134224506
Reduced:	OF6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-375.66
Dipole, Da:	2.2
IP(EA), eV:	-10.87(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylspiro[7-oxabicyclo[2.2.1]hepta-1,3-diene-5,4'-oxolane]-2'-one

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations