2-[4-(1H-Tetrazol-5-Yl)Phenyl]-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C16H11N4O2+
IUPAC Name 2-[4-(2,4-diaza-1-azonia-3-azanidacyclopenta-1,4-dien-5-yl)phenyl]chromen-4-one
Molecular Mass 291.284 g·mol−1
Heat of Formation 289.6 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 319.18 Å 3
Surface Area 296.88 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 1.13 ± eV
Point Group Symmetry Cs
InChIKey CDSSKRNFCDQPBZ-UHFFFAOYSA-O
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