4-[6-(1H-Imidazol-1-Ylmethyl)-7-Methoxy-2,4-Dihydroindeno[1,2-C]Pyrazol-3-Yl]Benzonitrile

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Properties Simple | Detailed

Formula C22H17N5O
IUPAC Name 4-[6-(2h-imidazol-1-ium-2-ylium-1-ylmethyl)-7-methoxy-4h-indeno[1,2-c]pyrazol-2-ium-3-ylium-3-yl]benzonitrile
Molecular Mass 367.403 g·mol−1
Heat of Formation 551.5 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 436.45 Å 3
Surface Area 386.05 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
InChIKey XEPCYHKWASJTHM-UHFFFAOYSA-N
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