Geometry & MOs

Info

ID:	389472
PubChem CID:	134993170
Reduced:	BrC3H3 (2)
Stoich.:	AB3C3 (2)
Weight, g/mol:	132.078644
ΔH_f, kcal/mol:	41.87
Dipole, Da:	1.49
IP(EA), eV:	-9.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-1,2,4-trioxane

Drug info:

PubChemData

Smile

C=C\1C(C/C1=C/Br)Br

DOS

IR

Vibrations