Geometry & MOs

Info

ID:	389415
PubChem CID:	134992823
Reduced:	ISO2F3C10H16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-239.72
Dipole, Da:	4.87
IP(EA), eV:	-9.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-6-phenyl-1,2,4-trioxane

Drug info:

PubChemData

Smile

CCCCCC/C(=C/CS(=O)(=O)C(F)(F)F)/I

DOS

IR

Vibrations