Geometry & MOs

Info

ID:	3956
PubChem CID:	10496
Reduced:	O2H4C5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	192.042259
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	8.55
IP(EA), eV:	-10.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione

Drug info:

PubChemData

Smile

C1CC2(C13C=CC(=O)O3)C=CC(=O)O2

DOS

IR

Vibrations