21-Diazonio-3-Oxopregna-4,20-Dien-20-Olate

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Formula C21H28N2O2
IUPAC Name (z)-2-diazonio-1-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethenolate
Molecular Mass 340.459 g·mol−1
Heat of Formation -205.1 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 428.33 Å 3
Surface Area 342.84 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey LCUJWGFEKPBUNF-YQRKQKOFSA-N
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