(3As,3Bs,5Ar,7S,9As,9Bs,11As)-2-Amino-7-Hydroxy-9A,11A-Dimethyl-3,3A,3B,4,5,5A,6,7,8,9,9A,9B,11,11A-Tetradecahydro-10H-Naphtho[2,1-E]Indol-10-One

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Properties Simple | Detailed

Formula C18H28N2O2
IUPAC Name (3as,3bs,5ar,7s,9as,9bs,11as)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
Molecular Mass 304.427 g·mol−1
Heat of Formation -430.9 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 380.07 Å 3
Surface Area 301.35 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,3bs,5ar,7s,9as,9bs,11as)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
InChIKey LLAKESJIQFAQJA-PLCDLCHKSA-N
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