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
Properties
Property | Value |
---|---|
Formula | C31H48N4O2 |
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 | 508.738 g·mol−1 |
Heat of Formation | -340.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.37 ± 1.08 D |
Volume | 676.32 Å 3 |
Surface Area | 497.83 Å 2 |
HOMO Energy | -8.63 ± 0.55 eV |
LUMO Energy | -0.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | SGHZZGZJOWAOAF-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |