Geometry & MOs

Info

ID:	18377
PubChem CID:	540041
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-146.71
Dipole, Da:	1.88
IP(EA), eV:	-10.1(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)CCC12C(CC(CC1(O2)C)O)(C)C

DOS

IR

Vibrations