(5S)-5-(2,3-Dihydro-1-Benzofuran-7-Yl)-3-Methyl-8-Nitro-2,3,4,5-Tetrahydro-1H-3-Benzazepin-7-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C19H20N2O4
IUPAC Name (3s,5s)-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-8-nitro-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular Mass 340.373 g·mol−1
Heat of Formation -205.3 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 391.63 Å 3
Surface Area 334.71 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-7-nitro-1,2,4,5-tetrahydro-3-benzazepin-8-ol
  • (1s)-1-(2,3-dihydrobenzofuran-7-yl)-3-methyl-7-nitro-1,2,4,5-tetrahydro-3-benzazepin-8-ol
  • 1h-3-benzazepin-7-ol, 5-(2,3-dihydro-7-benzofuranyl)-2,3,4,5-tetrahydro-3-methyl-8-nitro-, (s)-
  • 5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-8-nitro-2,3,4,5-tetrahydro-1h-3-benzazepin-7-ol
  • 8-nitro-7-hydroxy-3-methyl-5-(7-(2,3-dihydrobenzofuranyl))-2,3,4,5-tetrahydro-1h-3-benzazepine
  • nnc 01-0687
  • nnc 687
  • nnc-687
CAS Number(s)
  • 128022-68-4
InChIKey XZPSYCOYKJRHKE-MRXNPFEDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N