5-[Bis(2-Bromoethyl)Amino]-N-(2,3-Dioxopropyl)-2,4-Dinitrobenzamide

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Properties Simple | Detailed

Formula C14H14Br2N4O7
IUPAC Name 5-[bis(2-bromoethyl)amino]-n-(2,3-dioxopropyl)-2,4-dinitro-benzamide
Molecular Mass 510.092 g·mol−1
Heat of Formation 1095.2 ± 16.7 kJ·mol−1
Dipole Moment 8.50 ± 1.08 D
Volume 431.52 Å 3
Surface Area 382.8 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -2.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dinitro,5-[bis(2-bromoethyl)amino]-n-(2',3'-dioxopropyl)benzamide
  • 5-(bis(2-bromoethyl)amino)-n-(2,3-diketopropyl)-2,4-dinitro-benzamide
  • 5-(bis(2-bromoethyl)amino)-n-(2,3-dioxopropyl)-2,4-dinitro-benzamide
  • 5-(bis(2-bromoethyl)amino)-n-(2,3-dioxopropyl)-2,4-dinitrobenzamide
  • bel
InChIKey LECLJMCDJUEAKI-UHFFFAOYSA-N
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Elements C O Br N