Geometry & MOs

Info

ID:	13111
PubChem CID:	221635
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-134.37
Dipole, Da:	2.62
IP(EA), eV:	-9.78(1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,6-trimethyl-2-propyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC1OC(CC(O1)(C)C)C

DOS

IR

Vibrations