14-Methyl-3,20-Bis(Methylamino)-4-Methylene-9,19-Cyclopregnan-16-Ol

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Formula C25H44N2O++
IUPAC Name [(1r,3s,6r,8s,11r,12r,14r,15s,16r)-14-hydroxy-12,16-dimethyl-15-[(1s)-1-(methylammonio)ethyl]-7-methylene-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-methyl-ammonium
Molecular Mass 388.630 g·mol−1
Heat of Formation -207.0 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 516.67 Å 3
Surface Area 390.65 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry C1
InChIKey BSNZFQANPMIOIU-CNVVRESTSA-N
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