Formula |
C26H31N5O2 |
IUPAC Name |
4-[2-[(1s)-1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenyl-ethyl]imidazol-1-ium-3-id-4-yl]benzamide |
Molecular Mass |
445.557 g·mol−1 |
Heat of Formation |
-162.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.38 ± 1.08 D |
Volume |
552.59 Å 3 |
Surface Area |
461.78 Å 2 |
HOMO Energy |
-8.83 ± 0.55 eV |
LUMO Energy |
2.51 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UXCQKLRVLBOFGG-NYVOZVTQSA-N |
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Elements |
H
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