2-{2-[(2-Hydroxyethyl)Amino]Ethyl}-5-Nitro-1,2-Dihydropyrazolo[3,4,5-Kl]Acridin-9-Ol

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Formula C17H17N5O4
IUPAC Name 14-[2-(2-hydroxyethylamino)ethyl]-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9,11,13(16)-heptaen-4-ol
Molecular Mass 355.348 g·mol−1
Heat of Formation 86.3 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 395.58 Å 3
Surface Area 359.22 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
Synonyms
  • pyrazolo(3,4,5-kl)acridin-9-ol, 2,6-dihydro-2-(2-((2-hydroxyethyl)amino)ethyl)-5-nitro-
CAS Number(s)
  • 110999-53-6
InChIKey FNMAOAVZQDUTGZ-UHFFFAOYSA-N
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