7-[(5-Bromo-4H-Pyrimidin-4-Id-2-Yl)Oxy]-5,9-Diaza-7-Azonia-8-Azanidabicyclo[4.3.0]Nona-1(9),2,4,6-Tetraene
Properties
Property | Value |
---|---|
Formula | C9H6BrN6O |
IUPAC Name | 7-[(5-bromo-4h-pyrimidin-4-id-2-yl)oxy]-5,9-diaza-7-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraene |
Molecular Mass | 294.087 g·mol−1 |
Heat of Formation | 639.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.17 ± 1.08 D |
Volume | 260.85 Å 3 |
Surface Area | 242.03 Å 2 |
HOMO Energy | -9.96 ± 0.55 eV |
LUMO Energy | 0.18 ± eV |
Point Group Symmetry | C1 |
InChIKey | VFCDACJCTDVDPK-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |