8-Aza-19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol, (17α)-

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Properties Simple | Detailed

Formula C19H23NO2
IUPAC Name (1r,10r,11r,14r,15s)-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-triene-5,14-diol
Molecular Mass 297.391 g·mol−1
Heat of Formation -76.3 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 371.45 Å 3
Surface Area 307.18 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 8-azaethynylestradiol
CAS Number(s)
  • 39650-18-5
InChIKey LHEZGWXGSLMXDB-YRXWBPOGSA-N
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