1-{6-[(3-Cyclobutyl-2,3,4,5-Tetrahydro-1H-3-Benzazepin-7-Yl)Oxy]-3-Pyridinyl}-2-Pyrrolidinone

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Properties Simple | Detailed

Formula C23H27N3O2
IUPAC Name 1-[6-[[(3r)-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]-3-pyridyl]pyrrolidin-2-one
Molecular Mass 377.479 g·mol−1
Heat of Formation -75.8 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 460.59 Å 3
Surface Area 406.74 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)oxy]-3-pyridyl]-2-pyrrolidinone
  • 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)oxy]-3-pyridyl]-2-pyrrolidone
  • 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)oxy]-3-pyridyl]pyrrolidin-2-one
  • 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)oxy]pyridin-3-yl]pyrrolidin-2-one
InChIKey YFRBKEVUUCQYOW-UHFFFAOYSA-N
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