Estra-4,9-Dien-3-One, 17-Hydroxy-11-(4-(Methylamino)Phenyl)-17-(1-Propynyl)-, (11β,17β)-

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Formula C28H33NO2
IUPAC Name (8s,11r,13s,14s,17s)-17-hydroxy-13-methyl-11-[4-(methylamino)phenyl]-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 415.567 g·mol−1
Heat of Formation -75.1 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 525.65 Å 3
Surface Area 425.17 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey IBLXOBHABOVXDY-WKWWZUSTSA-N
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