11-Methyl-4,8,15,21,24,29,32-Heptaoxa-1,18-Diazatetracyclo[16.8.8.0~5,14~.0~7,12~]Tetratriaconta-5(14),6,10,12-Tetraen-9-One

Molecule SVG Image

Properties Simple | Detailed

Formula C26H38N2O8
IUPAC Name 11-methyl-4,8,15,21,24,29,32-heptaoxa-1,18-diazatetracyclo[16.8.8.0 5,14 .0 7,12 ]tetratriaconta-5(14),6,10,12-tetraen-9-one
Molecular Mass 506.589 g·mol−1
Heat of Formation -1081.1 ± 16.7 kJ·mol−1
Dipole Moment 7.93 ± 1.08 D
Volume 608.43 Å 3
Surface Area 437.73 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 6,7-(4-methyl)coumaro-(2.2.2)cryptand
  • 6,7-mcc
CAS Number(s)
  • 124804-69-9
InChIKey RWZMXSKVDUGUBJ-UHFFFAOYSA-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