Geometry & MOs

Info

ID:	11549
PubChem CID:	117425
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-155.99
Dipole, Da:	3.69
IP(EA), eV:	-10.36(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,10-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-2,11-dione

Drug info:

PubChemData

Smile

C1CCCOC(=O)C2=CC=CC=C2C(=O)OCC1

DOS

IR

Vibrations