(2R)-2-({4-[2,6-Di(1-Pyrrolidinyl)-4-Pyrimidinyl]-1-Piperazinyl}Methyl)-2,5,7,8-Tetramethyl-6-Chromanol

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Properties Simple | Detailed

Formula C30H44N6O2
IUPAC Name (2r)-2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-chroman-6-ol
Molecular Mass 520.709 g·mol−1
Heat of Formation -257.7 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 654.44 Å 3
Surface Area 535.29 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy 3.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[4-(2,6-di1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]methyl]-2,5,7,8-tetramethyl-6-chromanol
  • (2r)-2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-chroman-6-ol
  • (2r)-2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethylchroman-6-ol
InChIKey KPZQRBACZSLMPH-SSEXGKCCSA-N
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