4'-{(2R)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}Spiro[Cyclohexane-1,2'-Inden]-1'(3'H)-One

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Properties Simple | Detailed

Formula C21H31NO3
IUPAC Name 4'-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]spiro[cyclohexane-1,2'-indane]-1'-one
Molecular Mass 345.476 g·mol−1
Heat of Formation -589.7 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 445.7 Å 3
Surface Area 343.05 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey YLBMSIZZTJEEIO-OAHLLOKOSA-N
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