(2S,3R,7R,8R,14S,17S)-15-Methyl-1,15-Diazapentacyclo[12.3.1.1~3,17~.1~8,12~.0~2,7~]Icos-12(20)-Ene-6,9-Dione

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Formula C19H26N2O2
IUPAC Name (2s,3r,7r,8r,14s,17s)-15-methyl-1,15-diazapentacyclo[12.3.1.1 3,17 .1 8,12 .0 2,7 ]icos-12(20)-ene-6,9-dione
Molecular Mass 314.422 g·mol−1
Heat of Formation -244.2 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 378.58 Å 3
Surface Area 288.24 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-5,2-(iminomethano)-11,7-methenopyrrolo(3,2,1-no)(1)benzazacycloundecine-10,12-dione, 1,2,5,6,8,9,11,11a,13,14,14a,14b-dodecahydro-16-methyl-, (2r*,5r*,11s*,11as*,14as*,14br*)-(-)-
  • herqueline
  • herquiline
  • herquline
CAS Number(s)
  • 71812-08-3
InChIKey UFKNDVKQCSBIQE-OCANJJRCSA-N
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