Axisonitrile-3

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Properties Simple | Detailed

Formula C16H25N
IUPAC Name (5s,6r,9s,10r)-10-isocyano-9-isopropyl-3,6-dimethyl-spiro[4.5]dec-3-ene
Molecular Mass 231.376 g·mol−1
Heat of Formation 27.4 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 334.02 Å 3
Surface Area 278.78 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 4.18 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r,9s,10r)-10-isocyano-3,6-dimethyl-9-propan-2-yl-spiro[4.5]dec-3-ene
  • (5s,6r,9s,10r)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
  • (5s,6r,9s,10r)-10-isocyano-9-isopropyl-3,6-dimethyl-spiro[4.5]dec-3-ene
  • (5s,6r,9s,10r)-10-isocyano-9-isopropyl-3,6-dimethylspiro[4.5]dec-3-ene
InChIKey CLJZNXABBGEKKI-QKPAOTATSA-N
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Elements H C N