(1S,13S,15S)-7-Chloro-12,12-Dimethyl-10,19,21-Triazahexacyclo[13.5.2.0~1,13~.0~3,11~.0~4,9~.0~15,19~]Docosa-3(11),4,6,8-Tetraen-22-One

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Formula C21H24ClN3O
IUPAC Name (1s,13s,15s)-7-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0 1,13 .0 3,11 .0 4,9 .0 15,19 ]docosa-3(11),4,6,8-tetraen-22-one
Molecular Mass 369.888 g·mol−1
Heat of Formation -75.2 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 427.87 Å 3
Surface Area 348.4 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
InChIKey DXPVAKSJZFQGSS-DQLDELGASA-N
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Elements H C N O Cl