6-(1-Naphthyl)Pyrrolo[2,1-D][1,5]Benzoxazepin-7-Yl Dimethylcarbamate

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Formula C25H20N2O3
IUPAC Name (6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) n,n-dimethylcarbamate
Molecular Mass 396.438 g·mol−1
Heat of Formation 4.8 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 468.29 Å 3
Surface Area 379.75 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • [6-(1-naphthyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-yl] n,n-dimethylcarbamate
  • n,n-dimethylcarbamic acid [6-(1-naphthyl)-7-pyrrolo[2,1-d][1,5]benzoxazepinyl] ester
  • n,n-dimethylcarbamic acid [6-(1-naphthyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-yl] ester
InChIKey SOIZAFVNIXAZFQ-UHFFFAOYSA-N
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