Bohemamine C

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Properties Simple | Detailed

Formula C14H20N2O3
IUPAC Name n-[(4s,5s,7r,8s)-7-hydroxy-5,8-dimethyl-1-oxo-6,7-dihydro-5h-pyrrolizin-3-yl]-3-methyl-but-2-enamide
Molecular Mass 264.320 g·mol−1
Heat of Formation -484.0 ± 16.7 kJ·mol−1
Dipole Moment 6.95 ± 1.08 D
Volume 324.71 Å 3
Surface Area 285.21 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(5s,7r,8s)-7-hydroxy-1-keto-5,8-dimethyl-6,7-dihydro-5h-pyrrolizin-3-yl]-3-methyl-but-2-enamide
  • n-[(5s,7r,8s)-7-hydroxy-5,8-dimethyl-1-oxo-6,7-dihydro-5h-pyrrolizin-3-yl]-3-methyl-but-2-enamide
  • n-[(5s,7r,8s)-7-hydroxy-5,8-dimethyl-1-oxo-6,7-dihydro-5h-pyrrolizin-3-yl]-3-methylbut-2-enamide
InChIKey ZZUUBNUUMJZTMI-RBZYPMLTSA-N
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