(1R,9S)-4-Azido-1-Methyl-16-Azatetracyclo[7.6.1.0~2,7~.0~10,15~]Hexadeca-2,4,6,10,12,14-Hexaene

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Formula C16H14N4
IUPAC Name (1r,9s)-4-azido-1-methyl-16-azatetracyclo[7.6.1.0 2,7 .0 10,15 ]hexadeca-2,4,6,10,12,14-hexaene
Molecular Mass 262.309 g·mol−1
Heat of Formation 550.2 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 313.05 Å 3
Surface Area 277.32 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 3-azido-5-methyl-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5,10-imine
  • 3-azido-mk 801
CAS Number(s)
  • 127627-58-1
InChIKey ZXRNPVOTFWAJGE-HOTGVXAUSA-N
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