2,4,6-Cycloheptatrien-1-Yl

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Properties Simple | Detailed

Formula C7H7
IUPAC Name cyclohepta-1,3,5-triene
Molecular Mass 91.130 g·mol−1
Heat of Formation 1643.6 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 114.25 Å 3
Surface Area 121.63 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -2.16 ± eV
Point Group Symmetry C2v
Synonyms
  • 2,4,6-cycloheptatrien-1-yl
  • cycloheptatrienyl radical
CAS Number(s)
  • 3551-27-7
InChIKey WIQYRPSOJMHAHR-UHFFFAOYSA-N
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Elements C