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

S22-3
Index 3
Description HB-3 Formic Acid Dimer, C2H
Class default, hb, neutral, s11
Reagent S22-3-dimer S22-3-monoA-unCP S22-3-monoB-unCP
Stoichiometry 1 -1 -1
Natom 10 5 5
Charge 0 0 0
Multiplicity 1 1 1

Interactive Molecule

SAPT Decomposition
SAPT2+3(CCD) / aug-cc-pVTZ
kcal/mol
Electrostatics -32.2196