Formula |
C24H27FN4O2 |
IUPAC Name |
(2r)-8-[4-[3-(5-fluoro-2h-indol-1-ium-2-ylium-3-yl)propyl]piperazin-1-yl]-2-methyl-4h-1,4-benzoxazin-3-one |
Molecular Mass |
422.495 g·mol−1 |
Heat of Formation |
-245.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.76 ± 1.08 D |
Volume |
505.21 Å 3 |
Surface Area |
423.0 Å 2 |
HOMO Energy |
-8.29 ± 0.55 eV |
LUMO Energy |
-0.39 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SDAMYSWGWHXMRT-MRXNPFEDSA-N |
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Links |
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Elements |
H
C
N
O
F
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