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

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N