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

S22-10
Index 10
Description DD-3 Benzene-Methane Complex, C3
Class dd, default, mxdd, mxddnp, neutral, s11
Reagent S22-10-dimer S22-10-monoA-unCP S22-10-monoB-unCP
Stoichiometry 1 -1 -1
Natom 17 12 5
Charge 0 0 0
Multiplicity 1 1 1

Interactive Molecule

SAPT Decomposition
SAPT2+3(CCD) / aug-cc-pVTZ
kcal/mol