Molecular Glossary of Terms
IUPAC International Chemical Identifier(InChI) is a textual identifier for chemical substances, designed to provide a standard and human-readable way to encode molecular information and to facilitate the search for such information in databases and on the web. For more info please refer to InChI Wikipedia
Simplified molecular-input line-entry system (SMILES) is a specification in form of a line notation for describing the structure of chemical species using short ASCII strings. For more info please refer to SMILES Wikipedia
Point group: The symmetry of the molecular system in Schoenflies notation
Charge: Net charge of the system
Ionization Potential(IP): The energy required to oxidize a molecule. AKA Ionization Energy (IE).
Electron Affinity(EA): The energy required to reduce a molecule.
The IP and EA are two of most important properties of an electrolyte component. For a salt or solvent, these properties can determine the electrochemical window, which limits the potential within which the battery can operate. For redox active molecules, it is a proxy for the oxidation/reduction potential, which determines the operating voltage of a redox flow battery.