Geometry & MOs

Info

ID:	48980
PubChem CID:	11528574
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-122.76
Dipole, Da:	3.12
IP(EA), eV:	-8.84(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-methyl-1-(3-oxobutyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C(=C2CO1)OC)C)O

DOS

IR

Vibrations