Geometry & MOs

Info

ID:	13558
PubChem CID:	301136
Reduced:	O6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	270.110338
ΔH_f, kcal/mol:	-285.13
Dipole, Da:	6.94
IP(EA), eV:	-10.92(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C12CCC(CC1)C(C2C(=O)O)C(=O)O

DOS

IR

Vibrations