Geometry & MOs

Info

ID:	20312
PubChem CID:	583057
Reduced:	OH4C5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	160.052429
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	0.01
IP(EA), eV:	-10.19(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricyclo[4.2.1.12,5]deca-3,7-diene-9,10-dione

Drug info:

PubChemData

Smile

C1=CC2C3C=CC(C1C2=O)C3=O

DOS

IR

Vibrations