(1β)-7-Ethoxy-6,6',12-Trimethoxy-2,2'-Dimethylberbaman

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Properties Simple | Detailed

Formula C26H10N2O6
IUPAC Name carbon dioxide; [3-(2-hydroxyethynyl)-4-[1-[1-(5-methylidyneammoniopenta-2,4-diynoyl)hexa-2,4-diynoxy]-2-oxo-vinyl]octa-1,5,7-triynyl]-methylidyne-ammonium
Molecular Mass 446.367 g·mol−1
Heat of Formation -608.2 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 771.43 Å 3
Surface Area 544.41 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
Synonyms
  • 7-o-efc
  • 7-o-ethyl fangchinoline
  • 7-o-ethylfangchinoline
  • berbaman, 7-ethoxy-6,6',12-trimethoxy-2,2'-dimethyl-, (1beta)-
  • tjn 220
CAS Number(s)
  • 118160-59-1
InChIKey VNBSKOLSTYLJBG-CONSDPRKSA-N
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