(3S,5S,7S)-1-Isocyanoadamantane

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Properties Simple | Detailed

Formula C11H16N
IUPAC Name 1-isocyanoadamantane
Molecular Mass 162.251 g·mol−1
Heat of Formation 69.7 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 216.23 Å 3
Surface Area 192.68 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy 5.61 ± eV
Point Group Symmetry C3v
Synonyms
  • 1-adamantyl isocyanide
  • tos-bb-0761
CAS Number(s)
  • 22110-53-8
InChIKey RPRJRJNIFAYHRF-BIBSGERRSA-N
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Elements H C N