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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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You are here: Experimental > One molecule all properties |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/CH3.Cu/h1H3; | HRNSPWKFRJGQEC-UHFFFAOYSA-N | [Cu]C | |
InChI=1/CH3.Cu/h1H3;/rCH3Cu/c1-2/h1H3 | HRNSPWKFRJGQEC-CRCSLUCGNA-N | [Cu]C |
State | Conformation |
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1A1 | C3V |
Property | Value | Uncertainty | units | Reference | Comment |
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