(1R,9R,10R)-16-Methyl-6,14-Diazatetracyclo[7.5.3.0~1,10~.0~2,7~]Heptadeca-2(7),3,16-Trien-5-One

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Formula C16H20N2O
IUPAC Name (1r,9r,10r)-16-methyl-6,14-diazatetracyclo[7.5.3.0 1,10 .0 2,7 ]heptadeca-2(7),3,16-trien-5-one
Molecular Mass 256.343 g·mol−1
Heat of Formation -125.7 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 313.8 Å 3
Surface Area 265.22 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • hub
  • huperzine b
  • lycodin-1(18h)-one, 8,15-didehydro-
CAS Number(s)
  • 103548-82-9
InChIKey YYWGABLTRMRUIT-HWWQOWPSSA-N
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