(2S,3R,5S)-2-Benzyl-1-Methyl-5-Nonyl-3-Pyrrolidinol

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Properties Simple | Detailed

Formula C21H35NO
IUPAC Name (1s,2s,3r,5s)-2-benzyl-1-methyl-5-nonyl-pyrrolidin-3-ol
Molecular Mass 317.509 g·mol−1
Heat of Formation -319.0 ± 16.7 kJ·mol−1
Dipole Moment 1.37 ± 1.08 D
Volume 451.94 Å 3
Surface Area 402.24 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,5s)-1-methyl-5-nonyl-2-(phenylmethyl)-3-pyrrolidinol
  • (2s,3r,5s)-1-methyl-5-nonyl-2-(phenylmethyl)pyrrolidin-3-ol
  • (2s,3r,5s)-2-(benzyl)-1-methyl-5-nonyl-pyrrolidin-3-ol
InChIKey GBCXKHLKJHRTAB-PCCBWWKXSA-N
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