Formula |
C29H39N3O4 |
IUPAC Name |
1-adamantyl n-[(1r)-2-[[(1s,2s)-2-hydroxycyclohexyl]amino]-1-(2h-indol-1-ium-2-ylium-3-ylmethyl)-1-methyl-2-oxo-ethyl]carbamate |
Molecular Mass |
493.638 g·mol−1 |
Heat of Formation |
-794.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.27 ± 1.08 D |
Volume |
604.5 Å 3 |
Surface Area |
467.05 Å 2 |
HOMO Energy |
-8.23 ± 0.55 eV |
LUMO Energy |
0.19 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UOFRODPUIMDZTB-WAXPIYSQSA-N |
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Elements |
H
C
O
N
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