(3As,8Ar)-1,3A,8-Trimethyl-1,2,3,3A,8,8A-Hexahydropyrrolo[2,3-B]Indol-5-Yl {8-[(2R,6S)-2,6-Dimethyl-4-Morpholinyl]Octyl}Carbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C28H46N4O3
IUPAC Name [(3s,3ar,4s,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-7-yl] n-[8-[(2r,6s)-2,6-dimethylmorpholin-4-yl]octyl]carbamate
Molecular Mass 486.690 g·mol−1
Heat of Formation -592.6 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 640.15 Å 3
Surface Area 560.54 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy 3.37 ± eV
Point Group Symmetry C1
Synonyms
  • [(3ar,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-7-yl] n-[8-[(2s,6r)-2,6-dimethylmorpholin-4-yl]octyl]carbamate
  • mf 268
  • n-[8-[(2s,6r)-2,6-dimethylmorpholin-4-yl]octyl]carbamic acid [(3ar,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-7-yl] ester
CAS Number(s)
  • 154619-51-9
InChIKey CJMJXTWMGXRFOM-FKTURHEWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N