Geometry & MOs

Info

ID:	220739
PubChem CID:	85230829
Reduced:	O2F4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	228.063388
ΔH_f, kcal/mol:	-298.58
Dipole, Da:	3.41
IP(EA), eV:	-10.14(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl) acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC=CC)(C(F)(F)F)F

DOS

IR

Vibrations