7,13-Bis(4-Nitrobenzyl)-1,4,10-Trioxa-7,13-Diazacyclopentadecane

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Properties Simple | Detailed

Formula C22H8N4O7
IUPAC Name 3-[[13-(2-ethynyl-4-nitrosooxy-but-3-ynyl)-1,4,10-trioxa-7,13-diazacyclopentadeca-2,5,8,11,14-pentayn-7-yl]methyl]penta-1,4-diynyl nitrite
Molecular Mass 440.322 g·mol−1
Heat of Formation 2861.2 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 500.93 Å 3
Surface Area 394.51 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
InChIKey UKMHVECLTZDSBD-UHFFFAOYSA-N
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