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

S22-12
Index 12
Description DD-6 Pyrazine Dimer, CS
Class dd, default, mxdd, mxddpp, neutral
Reagent S22-12-dimer S22-12-monoA-unCP S22-12-monoB-unCP
Stoichiometry 1 -1 -1
Natom 20 10 10
Charge 0 0 0
Multiplicity 1 1 1

Interactive Molecule

SAPT Decomposition
SAPT2+3(CCD) / aug-cc-pVTZ
kcal/mol
Electrostatics -4.2658
Exchange 9.7087
Induction -1.0156