(13Z,27Z)-Lunarine

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Properties Simple | Detailed

Formula C25H31N3O4
IUPAC Name (13z,27z)-lunarine
Molecular Mass 437.531 g·mol−1
Heat of Formation -540.0 ± 16.7 kJ·mol−1
Dipole Moment 8.01 ± 1.08 D
Volume 528.85 Å 3
Surface Area 398.54 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 17,19-etheno-22h-benzofuro[3a,3-n][1,5, 10]triazacycloeicosine-3,14,22-trione, 4,5,6,7,8,9,10,11,12,13, 20a,21,23,24-tetradecahydro-
  • lunarine
  • sdccgmls-0066349.p001
CAS Number(s)
  • 24185-51-1
InChIKey YIWJEBPTHXRHQF-MHTBVGICSA-N
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