(5S)-5-Methyl-4,5,6,7-Tetrahydroimidazo[4,5,1-Jk][1,4]Benzodiazepin-2(1H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C11H13N3O
IUPAC Name (11s)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Molecular Mass 203.240 g·mol−1
Heat of Formation -14.5 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 238.12 Å 3
Surface Area 214.56 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 126233-80-5 (s)
  • imidazo[4,5,1-jk][1,4]benzodiazepin-2(1h)-one, 4,5,6,7-tetrahydro-5-methyl-, (s)-
  • s(+)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1h)-one
InChIKey GTNCOIIPIKEYMW-ZETCQYMHSA-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