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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Links |
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Elements |
H
C
O
Br
N
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