[3.2.2]Cryptand

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Properties Simple | Detailed

Formula C20H40N2O7
IUPAC Name 4,7,10,16,19,24,27-heptaoxa-1,13-diazabicyclo[11.8.8]nonacosane
Molecular Mass 420.541 g·mol−1
Heat of Formation -1187.4 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 528.66 Å 3
Surface Area 373.63 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4,7,10,16,19,24,27-heptaoxa-1,13-diazabicyclo(11.8.8)nonacosane
CAS Number(s)
  • 31255-22-8
InChIKey ADQBTNIMGRINEQ-UHFFFAOYSA-N
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