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

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Properties Simple | Detailed

Formula C12H16BrN3O3
IUPAC Name 4-amino-5-[(e)-2-bromovinyl]-1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Molecular Mass 330.178 g·mol−1
Heat of Formation -429.0 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 333.31 Å 3
Surface Area 293.94 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
InChIKey DAPGMYFQCZAFGS-HFVMFMDWSA-N
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Elements H C O Br N