Formula |
C12H15Br2N5O |
IUPAC Name |
n-[3-(2-aminoimidazol-3-ium-4-ylium-4-yl)propyl]-4,5-dibromo-1-methyl-pyrrol-1-ium-2-ylium-2-carboxamide |
Molecular Mass |
405.088 g·mol−1 |
Heat of Formation |
65.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.43 ± 1.08 D |
Volume |
361.78 Å 3 |
Surface Area |
321.28 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-0.22 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QFGSTEHTCAROLJ-UHFFFAOYSA-N |
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Elements |
H
C
O
Br
N
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