3-{[2-(4-Azidophenyl)-3-Hydroxypropanoyl]Oxy}-8,8-Dimethyl-8-Azoniabicyclo[3.2.1]Octane

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Properties Simple | Detailed

Formula C18H25N4O3+
IUPAC Name [(1r,5s)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2r)-2-(4-azidophenyl)-3-hydroxy-propanoate
Molecular Mass 345.416 g·mol−1
Heat of Formation 2964.7 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 361.21 Å 3
Surface Area 341.57 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -2.29 ± eV
Point Group Symmetry C1
InChIKey XOAFIYOZZAJEFK-YVSFHVDLSA-N
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