Geometry & MOs

Info

ID:	10661
PubChem CID:	106251
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-123.16
Dipole, Da:	2.62
IP(EA), eV:	-9.74(1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yl-4-methyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCC(C)C1OCCC(O1)C

DOS

IR

Vibrations