4-[1-Hydroxy-2-(Isopropylamino)Ethyl]-1,2-Phenylene Bis(4-Methylbenzoate)

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Properties Simple | Detailed

Formula C27H29NO5
IUPAC Name [4-[(1r)-1-hydroxy-2-(isopropylamino)ethyl]-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate
Molecular Mass 447.523 g·mol−1
Heat of Formation -691.3 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 561.06 Å 3
Surface Area 445.8 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey NMEIAFACWJORMN-QHCPKHFHSA-N
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