Calcium 4,7,13,16,21,24-Hexaoxa-1,10-Diazabicyclo[8.8.8]Hexacosane Hydrate

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Formula C18H38CaN2O7
IUPAC Name calcium 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane hydrate
Molecular Mass 434.582 g·mol−1
Heat of Formation -1390.3 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 492.47 Å 3
Surface Area 336.31 Å 2
HOMO Energy -3.32 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey PLXLBUUTAPMZJE-UHFFFAOYSA-N
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Elements H Ca C O N