Geometry & MOs

Info

ID:	9553
PubChem CID:	90899
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-76.9
Dipole, Da:	2.38
IP(EA), eV:	-10.05(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)C=CC12C(CCCC1(O2)C)(C)C

DOS

IR

Vibrations