Carbon Dioxide; [(43S,44R)-38-[(Z)-N-(2-Cyanoethynyl)-C-Methylidyneammonio-Carbonimidoyl]-27,28,35,36-Tetraethynyl-49-Hydroperoxy-22,23,29,30-Tetramethyl-Blahoctacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Pentacosa-11(32),12(31),13(38),14(33),29(35),30(36),34(46)-Heptaen-49-Yl]-Methylidyne-Ammonium; 2-Cyanoethynyl(Methylidyne)Ammonium; Formaldehyde

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Formula C46H35FeN10O8+
IUPAC Name carbon dioxide; [(43s,44r)-38-[(z)-n-(2-cyanoethynyl)-c-methylidyneammonio-carbonimidoyl]-27,28,35,36-tetraethynyl-49-hydroperoxy-22,23,29,30-tetramethyl-blahoctacyclo[blah.blah.blah.blah.blah.blah.blah.blah.blah]pentacosa-11(32),12(31),13(38),14(33),29(35),30(36),34(46)-heptaen-49-yl]-methylidyne-ammonium; 2-cyanoethynyl(methylidyne)ammonium; formaldehyde
Molecular Mass 911.677 g·mol−1
Heat of Formation 5428.0 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 933.47 Å 3
Surface Area 655.68 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -2.99 ± eV
Point Group Symmetry C1
InChIKey QXWCZXPEKHQYAW-UUVPVGQRSA-M
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Elements C Fe O N