1-[(3,4-Dihydroxycyclohexyl)Methyl]-7-Hydroxy-3,4,5,8-Tetrahydro-2H-Isoquinoline-1,3,4,4A,5,7,8,8A-Octaid-6-One
Properties
Property | Value |
---|---|
Formula | C16H28NO4+ |
IUPAC Name | (1r,4as,7s,8ar)-1-[[(1s,3r,4r)-3,4-dihydroxycyclohexyl]methyl]-7-hydroxy-2,3,4,4a,5,7,8,8a-octahydro-1h-isoquinolin-2-ium-6-one |
Molecular Mass | 298.398 g·mol−1 |
Heat of Formation | -419.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.05 ± 1.08 D |
Volume | 318.46 Å 3 |
Surface Area | 288.25 Å 2 |
HOMO Energy | -8.08 ± 0.55 eV |
LUMO Energy | -0.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | NFIMARUDUVQWMU-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |