6-(3-Bromophenyl)-3H-Purin-2-Amine

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Properties Simple | Detailed

Formula C11H8BrN5
IUPAC Name 6-(3-bromophenyl)purin-7-ium-4-ylium-2-amine
Molecular Mass 290.119 g·mol−1
Heat of Formation 430.6 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 269.85 Å 3
Surface Area 254.77 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
InChIKey OBKRZWFDMHKSFJ-UHFFFAOYSA-N
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Elements H C Br N