Benzene; Formaldehyde; Molecular Nitrogen; Penta-1,3-Diyne; Penta-1,3-Diyn-1-Ol; Prop-1-Yn-1-Ol

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Formula C21H22N8O4
IUPAC Name benzene; formaldehyde; molecular nitrogen; penta-1,3-diyne; penta-1,3-diyn-1-ol; prop-1-yn-1-ol
Molecular Mass 450.451 g·mol−1
Heat of Formation 3375.9 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 570.01 Å 3
Surface Area 419.22 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
InChIKey ARWJZABTRJHKFH-UHFFFAOYSA-N
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