2-(Adamantan-1-Yl)Ethyl {4-[2-Hydroxy-3-(Isopropylamino)Propoxy]Phenyl}Acetate

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Properties Simple | Detailed

Formula C26H39NO4
IUPAC Name 2-(1-adamantyl)ethyl 2-[4-[(2r)-2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetate
Molecular Mass 429.592 g·mol−1
Heat of Formation -830.0 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 553.89 Å 3
Surface Area 458.22 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
InChIKey IPGLIOFIFLXLKR-BKYNKYDCSA-N
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