3,5-Pyridinediylbis(Carbonylimino-2,1-Ethanediyl) Dinitrate

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Properties Simple | Detailed

Formula C11H13N5O8
IUPAC Name 2-[[5-(2-nitrooxyethylcarbamoyl)pyridine-3-carbonyl]amino]ethyl nitrate
Molecular Mass 343.250 g·mol−1
Heat of Formation -435.7 ± 16.7 kJ·mol−1
Dipole Moment 0.42 ± 1.08 D
Volume 366.8 Å 3
Surface Area 345.09 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C2
Synonyms
  • 2-[[5-(2-nitrooxyethylcarbamoyl)pyridin-3-yl]carbonylamino]ethyl nitrate
  • 3,5-bis((2'-nitroxyethyl)aminocarbonyl)pyridine
  • 3,5-pyridinedicarboxamide, n,n'-bis(2-(nitrooxy)ethyl)-
  • nitric acid 2-[[5-(2-nitrooxyethylcarbamoyl)pyridine-3-carbonyl]amino]ethyl ester
  • nitric acid 2-[[[5-[(2-nitrooxyethylamino)-oxomethyl]-3-pyridyl]-oxomethyl]amino]ethyl ester
  • sg 114
  • sg-114
CAS Number(s)
  • 66886-77-9
InChIKey JWTQEZXCSSIKNP-UHFFFAOYSA-N
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