4-Amino-5-[(E)-2-Bromovinyl]-1-[(3R,4S)-3-Hydroxy-4-(Hydroxymethyl)Cyclopentyl]-2(1H)-Pyrimidinone

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Formula C12H16BrN3O3
IUPAC Name 4-amino-5-[(e)-2-bromovinyl]-1-[(1s,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Molecular Mass 330.178 g·mol−1
Heat of Formation -404.9 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 329.99 Å 3
Surface Area 295.36 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey DAPGMYFQCZAFGS-NJJACTBESA-N
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Elements H C O Br N