Geometry & MOs

Info

ID:	18159
PubChem CID:	538595
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-123.29
Dipole, Da:	6.31
IP(EA), eV:	-9.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2,6-trimethyl-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-1-yl)ethenyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC=CC12C(C(=O)C=CC1(O2)C)(C)C

DOS

IR

Vibrations