Geometry & MOs

Info

ID:	20761
PubChem CID:	585565
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-160.17
Dipole, Da:	4.44
IP(EA), eV:	-10.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(7-oxabicyclo[4.1.0]heptan-1-yl)-2-(3-oxocyclopentylidene)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1CCC(=O)C1)C23CCCCC2O3

DOS

IR

Vibrations