Geometry & MOs

Info

ID:	18117
PubChem CID:	538345
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-86.52
Dipole, Da:	1.74
IP(EA), eV:	-9.81(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-3,7,9-trioxabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

CC1CC2(OCC(O2)CO1)C

DOS

IR

Vibrations