Geometry & MOs

Info

ID:	18284
PubChem CID:	539357
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-153.35
Dipole, Da:	4.26
IP(EA), eV:	-10.04(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1,2,5,5,6,7-hexamethyl-3-oxabicyclo[4.1.0]heptan-4-one

Drug info:

PubChemData

Smile

CC1C2(C1(C(OC(=O)C2(C)C)(C)O)C)C

DOS

IR

Vibrations