(1R,12R)-23-Methyl-5,7,16,18-Tetraoxa-23-Azahexacyclo[10.10.1.0~2,10~.0~4,8~.0~13,21~.0~15,19~]Tricosa-2(10),3,8,13(21),14,19-Hexaene

Molecule SVG Image

Properties Simple | Detailed

Formula C19H17NO4
IUPAC Name (1r,12r)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.0 2,10 .0 4,8 .0 13,21 .0 15,19 ]tricosa-2(10),3,8,13(21),14,19-hexaene
Molecular Mass 323.343 g·mol−1
Heat of Formation -321.3 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 359.01 Å 3
Surface Area 312.5 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • crychine
  • cycloocta(1,2-f:5,6-f')bis(1,3)benzodioxol-5,12-imine, 5,6,12,13-tetrahydro-15-methyl-, (5s)-
CAS Number(s)
  • 4040-75-9
InChIKey PGINMPJZCWDQNT-HUUCEWRRSA-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