1-[1-(3-Ethoxyphenyl)Propyl]-7-(5-Pyrimidinylmethoxy)-4,5-Dihydro-1H-Benzo[G]Indazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C28H28N4O4
IUPAC Name 1-[(1r)-1-(3-ethoxyphenyl)propyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazol-1-ium-2-ide-3-carboxylic acid
Molecular Mass 484.546 g·mol−1
Heat of Formation -228.2 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 577.08 Å 3
Surface Area 472.0 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey GEVQMCFWDDZLMU-RUZDIDTESA-N
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