4-[{(1S)-2-[(3S)-3-Hydroxy-1-Pyrrolidinyl]-1-Phenylethyl}(Methyl)Amino]-N-Propylbenzamide

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Properties Simple | Detailed

Formula C23H31N3O2
IUPAC Name 4-[[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]-n-propyl-benzamide
Molecular Mass 381.511 g·mol−1
Heat of Formation -203.5 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 492.85 Å 3
Surface Area 420.22 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(1s)-2-[(3s)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]-methylamino]-n-propylbenzamide
  • 4-[[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]-n-propyl-benzamide
  • 4-[[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]-n-propylbenzamide
InChIKey FHFHNAQEPILWDK-FCHUYYIVSA-N
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