4,9-Dihydroxy-2,7-Dinitro-4,9-Dihydropyrido[2,3,4,5-Lmn]Phenanthridine-5,10-Dione

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Formula C14H6N4O8
IUPAC Name 2,9-dihydroxy-6,13-dinitro-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Molecular Mass 358.219 g·mol−1
Heat of Formation -189.3 ± 16.7 kJ·mol−1
Dipole Moment 0.00 ± 1.08 D
Volume 341.13 Å 3
Surface Area 303.4 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry Ci
Synonyms
  • 2,7-dinitro-4,9-dioxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene
  • 2,7-dn-ddtdp
  • 4,9-dihydro-4,9-dihydroxy-2,7-dinitro-pyrido(2,3,4,5-lmn)phenanthridine-5,10-dione
  • pyrido(2,3,4,5-lmn)phenanthridine-5,10-dione, 4,9-dihydro-4,9-dihydroxy-2,7-dinitro-
CAS Number(s)
  • 72979-21-6
InChIKey JDVYKYNWSNDVDI-UHFFFAOYSA-N
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