Formula |
C34H36N6O5 |
IUPAC Name |
6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-pyridin-1-ium-5-ylium-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one |
Molecular Mass |
608.687 g·mol−1 |
Heat of Formation |
-431.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.30 ± 1.08 D |
Volume |
712.6 Å 3 |
Surface Area |
588.99 Å 2 |
HOMO Energy |
-8.50 ± 0.55 eV |
LUMO Energy |
2.12 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SJBGHIGDLWCJIO-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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