Geometry & MOs

Info

ID:	13562
PubChem CID:	301149
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-23.98
Dipole, Da:	4.9
IP(EA), eV:	-9.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetracyclo[6.6.0.02,6.010,14]tetradeca-2(6),10(14)-diene-5,11-dione

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C3C(C2)CC4=C3CCC4=O

DOS

IR

Vibrations