1-(2-Hydroxyethyl)-3-(2-Methyl-2-Butanyl)-5-[4-(2-Methyl-1H-Imidazol-1-Yl)Phenyl]-6,7-Dihydropyrazolo[4,3-E][1,4]Diazepin-8(1H)-One

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Properties Simple | Detailed

Formula C23H28N6O2
IUPAC Name 3-(1,1-dimethylpropyl)-1-(2-hydroxyethyl)-5-[4-(2-methyl-4h-imidazol-3-ium-4-ylium-3-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-1-ium-3-ylium-8-one
Molecular Mass 420.507 g·mol−1
Heat of Formation 31.2 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 508.52 Å 3
Surface Area 431.23 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
InChIKey FSYSOQAXVZSDSJ-UHFFFAOYSA-N
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