Reaction Viewer

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

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Database

Reaction

Reaction Information

S22-20
Index 20
Description DD-5 Benzene Dimer T-Shape, C2V
Class dd, default, mxdd, mxddnp, neutral
Reagent S22-20-dimer S22-20-monoA-unCP S22-20-monoB-unCP
Stoichiometry 1 -1 -1
Natom 24 12 12
Charge 0 0 0
Multiplicity 1 1 1

Interactive Molecule

SAPT Decomposition
SAPT2+3(CCD) / aug-cc-pVTZ
kcal/mol
Electrostatics -2.0005