Formula |
C17H19BrN6O2 |
IUPAC Name |
2-[3-[(2s,5e)-5-[(6-bromoindol-1-ium-3-yl)methylene]-3,6-dioxo-piperazin-2-yl]propyl]guanidine |
Molecular Mass |
419.276 g·mol−1 |
Heat of Formation |
-42.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.12 ± 1.08 D |
Volume |
449.37 Å 3 |
Surface Area |
382.24 Å 2 |
HOMO Energy |
-8.56 ± 0.55 eV |
LUMO Energy |
-0.40 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YYFNNPXWRXQUPR-VWBIBIBXSA-N |
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Links |
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Elements |
H
C
O
Br
N
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