MolCalcThe Molecule Calculator

  • New Molecule
  • Molecule List
  • Help
  • ATTENTION: new version

Structure

  • Search for molecule structureSearch
  • Start from MethaneMethane
  • Start from BenzeneBenzene
  • Start from Water DimerWater Dimer
  • Optimize structure using MMFF forcefieldOptimize

Atom Manipulation

  • Turn off atom manipulation Off
  • Drag selected atom Drag
  • Remove selected atom from stucture Delete
  • HydrogenH
  • LithiumLi
  • BerylliumBe
  • CarbonC
  • NitrogenN
  • OxygenO
  • FluorineF
  • NeonNe
  • SodiumNa
  • MagnesiumMg
  • AluminiumAl
  • SiliconSi
  • PhosphorusP
  • SulfurS
  • ChlorineCl
  • ArgonAr
  • Increase charge of selected atom +1
  • Decrease charge of selected atom -1

Bond Manipulation

  • Turn off bond editingOff
  • Break bondBreak
  • Change Bond typeSingle
  • Change Bond typeDouble
  • Change Bond typeTriple

Calculate Molecule Properties

Is it time to calculate some properties?Calculate Properties
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