(1S,9R)-1-[2-(~18~F)Fluoroethyl]-16-Azatetracyclo[7.6.1.0~2,7~.0~10,15~]Hexadeca-2,4,6,10,12,14-Hexaene

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Formula C17H16FN
IUPAC Name (1s,9r)-1-[2-( 18 f)fluoroethyl]-16-azatetracyclo[7.6.1.0 2,7 .0 10,15 ]hexadeca-2,4,6,10,12,14-hexaene
Molecular Mass 252.317 g·mol−1
Heat of Formation 43.6 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 305.58 Å 3
Surface Area 265.49 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey DHHVHCZZAHJZSA-VOQFZLIHSA-N
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Elements H C N F