2-(4-{4-[(1Z)-1-(Hydroxyimino)-2,3-Dihydro-1H-Inden-5-Yl]-5-(4-Pyridinyl)-1H-Imidazol-2-Yl}Phenoxy)-N,N-Dimethylethanamine

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Properties Simple | Detailed

Formula C27H27N5O2
IUPAC Name 5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-pyridyl)imidazol-1-ium-5-ylium-4-yl]indan-1-one oxime
Molecular Mass 453.536 g·mol−1
Heat of Formation 271.7 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 548.16 Å 3
Surface Area 480.72 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey MLSAQOINCGAULQ-QLTSDVKISA-N
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