2-Cyclohexyl-4-[(1-Isopropyl-4-Piperidyl)Methyl]-6-(3-Pyrrolidin-1-Ylprop-1-Ynoxy)Cyclopropa[1,2]Cyclopenta[3,5-C]Pyrimidine-1,3-Diium-5A,6,6A-Triide; Methanone

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Formula C31H45N4O2
IUPAC Name 2-cyclohexyl-4-[(1-isopropyl-4-piperidyl)methyl]-6-(3-pyrrolidin-1-ylprop-1-ynoxy)cyclopropa[1,2]cyclopenta[3,5-c]pyrimidine-1,3-diium-5a,6,6a-triide; methanone
Molecular Mass 505.715 g·mol−1
Heat of Formation 580.3 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 660.38 Å 3
Surface Area 556.99 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey SGHZZGZJOWAOAF-UHFFFAOYSA-N
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