Geometry & MOs

Info

ID:	177162
PubChem CID:	76142574
Reduced:	O8C9H16 (1)
Stoich.:	A8B9C16 (1)
Weight, g/mol:	232.055858
ΔH_f, kcal/mol:	-363.93
Dipole, Da:	3.43
IP(EA), eV:	-10.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-2,4,5,6-tetrahydroxyheptan-3-one

Drug info:

PubChemData

Smile

C(CC(=O)O)C(C(=O)C(C(C(CO)O)O)O)O

DOS

IR

Vibrations