(17β)-11-(1-Aziridinylmethyl)Estra-1,3,5(10)-Triene-3,17-Diol

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Formula C21H29NO2
IUPAC Name (8s,9r,11r,13s,14s,17s)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 327.460 g·mol−1
Heat of Formation -257.2 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 420.94 Å 3
Surface Area 340.27 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
InChIKey HEEPORQSZTZTBT-NWSAAYAGSA-N
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