Formula |
C31H35N5O3 |
IUPAC Name |
1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-5h-indol-1-ium-5-ide-4-carboxylic acid |
Molecular Mass |
525.641 g·mol−1 |
Heat of Formation |
-179.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.12 ± 1.08 D |
Volume |
641.33 Å 3 |
Surface Area |
530.19 Å 2 |
HOMO Energy |
-8.24 ± 0.55 eV |
LUMO Energy |
3.14 ± eV |
Point Group Symmetry |
C1
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InChIKey |
WBDOXNXLJBVELO-BIZUNTBRSA-N |
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Elements |
H
C
O
N
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