(4R,6Z)-4-Hydroxy-6-(Hydroxymethyl)-1-Methyl-1,3,4,8-Tetrahydro-5(2H)-Azocinone

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Properties Simple | Detailed

Formula C9H15NO3
IUPAC Name (4r,6z)-4-hydroxy-6-(hydroxymethyl)-1-methyl-2,3,4,8-tetrahydroazocin-5-one
Molecular Mass 185.220 g·mol−1
Heat of Formation -472.1 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 227.86 Å 3
Surface Area 203.44 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6z)-4-hydroxy-1-methyl-6-methylol-2,3,4,8-tetrahydroazocin-5-one
  • (4r,6z)-4-hydroxy-6-(hydroxymethyl)-1-methyl-2,3,4,8-tetrahydroazocin-5-one
  • 1h-pyrrolizinium,2,3,5,7a-tetrahydro-1,7a-dihydroxy-7-(hydroxymethyl)-4-methyl-,(1r-(1alpha,4beta,7abeta))-
  • otonecine
CAS Number(s)
  • 6887-34-9
InChIKey GRAGROPQORVALZ-VKWJFSHESA-N
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