(20Ar)-Docosahydro-1H-Pyrido[1,2-J][1,5,10]Triazacyclodocosin-10(11H)-One

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Formula C23H45N3O
IUPAC Name (1s,22r)-1,6,10-triazabicyclo[20.4.0]hexacosan-11-one
Molecular Mass 379.623 g·mol−1
Heat of Formation -476.5 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 538.72 Å 3
Surface Area 386.62 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • (22r)-1,6,10-triazabicyclo[20.4.0]hexacosan-11-one
  • 1h-pyrido(1,2-j)(1,5,10)triazacyclodocosin-10(11h)-one, docosahydro-, (r)-
  • isooncinotine
CAS Number(s)
  • 21008-80-0
InChIKey PCCGPXUVEYTSFS-JOCHJYFZSA-N
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