Geometry & MOs

Info

ID:	10484
PubChem CID:	102679
Reduced:	O3H4C6 (2)
Stoich.:	A3B4C6 (2)
Weight, g/mol:	248.032088
ΔH_f, kcal/mol:	-211.19
Dipole, Da:	4.44
IP(EA), eV:	-11.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

Drug info:

PubChemData

Smile

C1=CC2C3C(C1C4C2C(=O)OC4=O)C(=O)OC3=O

DOS

IR

Vibrations