Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 73963-42-5, Name is 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole, molecular formula is C11H19ClN4, belongs to pyridazines compound. In a document, author is Bulychev, V. P., introduce the new discover, SDS of cas: 73963-42-5.
Calculation of Vibrational Parameters of an Electride-Like Molecule Li4C4H2N2 and the Pyridazine Molecule C4H4N2
The frequencies and intensities are calculated for fundamental transitions between vibrational states of an electride-like molecule Li4C4H2N2 that can be obtained from the pyridazine molecule C4H4N2 by replacing two hydrogen atoms by lithium atoms and adding two other lithium atoms to nitrogen atoms. Spectral parameters of Li4C4H2N2 are calculated in the harmonic and anharmonic approximations using the MP2, CCSD, and QCISD methods with the sets of atomic functions aug-cc-pVDZ and aug-cc-pVTZ. For comparison the absorption spectrum of a pyridazine molecule was calculated in the same approximations. The calculations showed that, upon introducing lithium atoms into the pyridazine molecule, new intense bands appear and the spectral parameters of the bands present in the pyridazine spectrum are significantly changed. The results obtained may be useful for spectroscopic observation and identification of the new compound.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 73963-42-5. SDS of cas: 73963-42-5.
Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem