Geometry & MOs

Info

ID:	382718
PubChem CID:	134974037
Reduced:	O3F6H8C12 (1)
Stoich.:	A3B6C8D12 (1)
Weight, g/mol:	537.88843
ΔH_f, kcal/mol:	-395.11
Dipole, Da:	3.43
IP(EA), eV:	-9.92(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,5-dibromo-2,4-dihydroxy-9-oxo-2,4-bis(trifluoromethyl)-3-oxabicyclo[3.3.1]nonane-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(=O)C(F)(F)F)OC)C(=O)C(F)(F)F

DOS

IR

Vibrations