Geometry & MOs

Info

ID:	382757
PubChem CID:	134974087
Reduced:	O5F6H8C12 (2)
Stoich.:	A5B6C8D12 (2)
Weight, g/mol:	425.95375
ΔH_f, kcal/mol:	-970.04
Dipole, Da:	1.35
IP(EA), eV:	-9.92(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-7,9-bis(2,2,2-trifluoroacetyl)-1,4-dioxaspiro[4.5]decan-8-one

Drug info:

PubChemData

Smile

C1COC(C2=CC(=CC(=C2O)C(=O)C(F)(F)F)OCCOC(C3=CC(=CC(=C3O)C(=O)C(F)(F)F)O1)(C(F)(F)F)O)(C(F)(F)F)O

DOS

IR

Vibrations