3,4,5,6-Tetrahydro-2H-Azepine

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Properties Simple | Detailed

Formula C6H11N
IUPAC Name 3,4,5,6-tetrahydro-2h-azepine
Molecular Mass 97.158 g·mol−1
Heat of Formation 1.5 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 137.42 Å 3
Surface Area 140.12 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-azepine, 3,4,5,6-tetrahydro-
  • 3,4,5,6-tetrahydo-2h-azepine
  • 3,4,5,6-tetrahydroazepine
CAS Number(s)
  • 2214-81-5
InChIKey WNHPMKYMPWMAIT-UHFFFAOYSA-N
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Elements H C N