N-[(1Ar,2S,6As,6Bs)-2,6A-Dimethyl-6-Oxo-1A,6,6A,6B-Tetrahydro-2H-Oxireno[A]Pyrrolizin-4-Yl]-3-Methyl-2-Butenamide

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Properties Simple | Detailed

Formula C14H18N2O3
IUPAC Name n-[(1ar,2s,6as,6bs)-2,6a-dimethyl-6-oxo-1a,6,6a,6b-tetrahydro-2h-oxireno[a]pyrrolizin-4-yl]-3-methyl-2-butenamide
Molecular Mass 262.304 g·mol−1
Heat of Formation -282.4 ± 16.7 kJ·mol−1
Dipole Moment 8.11 ± 1.08 D
Volume 313.25 Å 3
Surface Area 277.19 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenamide, 3-methyl-n-(1a,6,6a,6b-tetrahydro-2,6a-dimethyl-6-oxo-2h-oxireno(a)pyrrolizin-4-yl)-, (1aalpha,2beta,6aalpha,6balpha)-
  • bohemamine
CAS Number(s)
  • 72926-12-6
InChIKey UARXZADXFDTXOF-OKVQYTGBSA-N
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