Geometry & MOs

Info

ID:	18615
PubChem CID:	544572
Reduced:	F3O3C8H11 (1)
Stoich.:	A3B3C8D11 (1)
Weight, g/mol:	212.066029
ΔH_f, kcal/mol:	-301.52
Dipole, Da:	3.67
IP(EA), eV:	-10.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)oxan-4-one

Drug info:

PubChemData

Smile

CC1(COC(CC1=O)(C(F)(F)F)O)C

DOS

IR

Vibrations