Formula |
C31H30N6O2 |
IUPAC Name |
3-[11-oxo-2-[1-(4-piperidyl)-3h-pyrazol-1-ium-3-ylium-4-yl]benzo[1,2]cyclohepta[3,4-b]pyridin-9-yl]-n-(2-pyridylmethyl)propanamide |
Molecular Mass |
518.609 g·mol−1 |
Heat of Formation |
244.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.07 ± 1.08 D |
Volume |
618.98 Å 3 |
Surface Area |
538.58 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
-1.02 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PCKOOTOQVCFRHS-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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