4-[1-Chloro-2-(Isopropylamino)Ethyl]-1,2-Phenylene Diacetate

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Properties Simple | Detailed

Formula C15H20ClNO4
IUPAC Name [2-acetoxy-4-[(1r)-1-chloro-2-(isopropylamino)ethyl]phenyl] acetate
Molecular Mass 313.777 g·mol−1
Heat of Formation -753.3 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 373.25 Å 3
Surface Area 330.64 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey IQRFQWIEOWDZQU-ZDUSSCGKSA-N
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Elements H C N O Cl