(1-{4-[(1S,13S)-3-Amino-7-Chloro-10-Azatetracyclo[11.3.1.0~2,11~.0~4,9~]Heptadeca-2(11),3,5,7,9,14-Hexaen-15-Yl]Butyl}-1H-1,2,3-Triazol-4-Yl)Methanol

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Formula C23H26ClN5O
IUPAC Name (1-{4-[(1s,13s)-3-amino-7-chloro-10-azatetracyclo[11.3.1.0 2,11 .0 4,9 ]heptadeca-2(11),3,5,7,9,14-hexaen-15-yl]butyl}-1h-1,2,3-triazol-4-yl)methanol
Molecular Mass 423.938 g·mol−1
Heat of Formation 143.9 ± 16.7 kJ·mol−1
Dipole Moment 6.94 ± 1.08 D
Volume 502.49 Å 3
Surface Area 421.66 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey MHMXFYDLGYPRNA-JKSUJKDBSA-N
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