N-[[10-[2-(4-Methylpiperazin-1-Yl)Ethyl]-1,2,3,4,5,6,7,8-Octahydroacridine-1,2,3,4,4A,5,6,7,8,8A,9A,10A-Dodecaid-9-Ylidene]Amino]-4,5-Dihydrothiazol-2-Amine
Properties
Property | Value |
---|---|
Formula | C23H41N6S+ |
IUPAC Name | n-[[(4ar,8ar,9as,10as)-10-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1h-acridin-10-ium-9-ylidene]amino]-4,5-dihydrothiazol-2-amine |
Molecular Mass | 433.677 g·mol−1 |
Heat of Formation | 501.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.79 ± 1.08 D |
Volume | 507.92 Å 3 |
Surface Area | 429.44 Å 2 |
HOMO Energy | -8.06 ± 0.55 eV |
LUMO Energy | 1.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | JNGQTCRYMXYAFF-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H S C N |