Cheshmedzhieva, Diana published the artcileHydrogen bonding probes electron density variations at the basic center in substituted alkyl benzoates: Theory and experiment, Formula: C11H15NO2, the publication is Journal of Physical Organic Chemistry (2021), 34(11), e4258, database is CAplus.
Theor. computations of charge d. parameters are juxtaposed to exptl. spectroscopic shifts induced by hydrogen bonding for a series of 21 substituted in the aromatic ring Et and Me benzoates. Strong correlations between at. charges at the proton accepting atom and the shifts of methanol O-H frequencies are established. Hirshfeld, Charge Model 5 (CM5), and natural population anal. (NPA) at. charges are evaluated using ωB97X-D/6-311++G(3df,2pd) and MP2/6-311++G(3df,2pd) computations. The results obtained reveal the power of hydrogen bond measurements in characterizing the variations of electron densities at the proton accepting center within a series of structurally related mols. The limits of application of the approach are outlined.
Journal of Physical Organic Chemistry published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, Formula: C11H15NO2.
Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics