Geometry & MOs

Info

ID:	15066
PubChem CID:	428478
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-167.67
Dipole, Da:	6.16
IP(EA), eV:	-10.58(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CC2C=CC1C(C2C(=O)O)C(=O)O

DOS

IR

Vibrations