4-Amino-5-Bromo-1-(2-Deoxypentofuranosyl)-2(1H)-Pyrimidinone

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Formula C9H12BrN3O4+
IUPAC Name 4-amino-5-bromo-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 306.113 g·mol−1
Heat of Formation -609.8 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 282.36 Å 3
Surface Area 260.18 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey KISUPFXQEHWGAR-XVMARJQXSA-N
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Elements H C O Br N