Geometry & MOs

Info

ID:	3634
PubChem CID:	9871
Reduced:	OC3F3H3 (1)
Stoich.:	AB3C3D3 (1)
Weight, g/mol:	112.013599
ΔH_f, kcal/mol:	-198.79
Dipole, Da:	3.36
IP(EA), eV:	-11.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoropropan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations