(1S,2R,5R)-5-(8-Hydroxy-7,8-Dihydroimidazo[4,5-D][1,3]Diazepin-3(4H)-Yl)-3-(Hydroxymethyl)-3-Cyclopentene-1,2-Diol

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Formula C12H16N4O4
IUPAC Name 5-(8-hydroxy-7,8-dihydro-4h-imidazo[4,5-d][1,3]diazepin-3-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Molecular Mass 280.280 g·mol−1
Heat of Formation -456.4 ± 16.7 kJ·mol−1
Dipole Moment 9.56 ± 1.08 D
Volume 308.07 Å 3
Surface Area 274.86 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey WJSAFKJWCOMTLH-SCVMZPAESA-N
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