2-Isocyanopropane

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Properties Simple | Detailed

Formula C4H8N
IUPAC Name 2-isocyanopropane
Molecular Mass 70.113 g·mol−1
Heat of Formation 107.0 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 110.57 Å 3
Surface Area 123.64 Å 2
HOMO Energy -11.25 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry Cs
Synonyms
  • isopropyl isocyanide
  • propane, 2-isocyano-
CAS Number(s)
  • 598-45-8
InChIKey MJZUMMKYWBNKIP-UHFFFAOYSA-N
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Elements H C N