(4Bs,6As,10As,10Br)-6A-Methyl-4B,5,6,6A,7,10,10A,10B,11,12-Decahydronaphtho[2',1':4,5]Indeno[1,2-C]Pyrazol-2-Ol

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Properties Simple | Detailed

Formula C19H22N2O
IUPAC Name (1r,2s,9s,12s)-9-methyl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaen-16-ol
Molecular Mass 294.391 g·mol−1
Heat of Formation 45.1 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 358.76 Å 3
Surface Area 303.44 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1'h-estra-1,3,5(10)-trieno(17,16-c)pyrazol-3-ol
  • 16,17-pyrazoleestrone
CAS Number(s)
  • 3460-91-1
InChIKey LYPKZGCWSASPDL-VXNCWWDNSA-N
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