Geometry & MOs

Info

ID:	216418
PubChem CID:	85086205
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	266.188195
ΔH_f, kcal/mol:	-200.82
Dipole, Da:	7.83
IP(EA), eV:	-10.46(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethylspiro[1,3-dioxane-2,9'-bicyclo[5.3.1]undecane]-8'-one

Drug info:

PubChemData

Smile

CCC12CCC3C(C(=O)OC3C1C(C(=O)OC2)C)C

DOS

IR

Vibrations