2-[(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]Ethanol

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Properties Simple | Detailed

Formula C18H19ClN2O
IUPAC Name 2-[(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]ethanol
Molecular Mass 314.809 g·mol−1
Heat of Formation -61.1 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 368.62 Å 3
Surface Area 309.23 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey GAOPELPOAHCRBF-NWDGAFQWSA-N
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Elements H C N O Cl