Geometry & MOs

Info

ID:	387657
PubChem CID:	134986325
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	1.45
IP(EA), eV:	-9.11(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC(C)(C)OC1(C2(C13C=CC=C3)CC2)OC

DOS

IR

Vibrations