Reaction Viewer

For a reaction defined in a chemical database, examine its stoichiometric, structural, and benchmark information, as well as additional published computational data.

Configuration

Database

Reaction

Reaction Information

S22-9
Index 9
Description DD-2 Ethene Dimer, D2D
Class dd, default, mxdd, mxddnp, neutral, s11
Reagent S22-9-dimer S22-9-monoA-unCP S22-9-monoB-unCP
Stoichiometry 1 -1 -1
Natom 12 6 6
Charge 0 0 0
Multiplicity 1 1 1

Interactive Molecule

SAPT Decomposition
SAPT2+3(CCD) / aug-cc-pVTZ
kcal/mol
Electrostatics -1.1294
Exchange 2.3750
Induction -0.2294
Dispersion -2.5288
Total -1.5126