16-Diazonio-3-Hydroxyestra-1,3,5(10),16-Tetraen-17-Olate

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Formula C18H21N2O2
IUPAC Name (8r,9s,13s,14s)-16-diazonio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-olate
Molecular Mass 297.372 g·mol−1
Heat of Formation -100.8 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 358.09 Å 3
Surface Area 304.7 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey MRIIJKDAGPPAPD-BSXFFOKHSA-N
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