Formula |
C24H32N6O |
IUPAC Name |
n-[1-[(1s)-3-(dimethylamino)-1-phenyl-propyl]pyrazol-1-ium-2-id-4-yl]-6,6-dimethyl-5,7-dihydro-4h-indazol-1-ium-2-ide-3-carboxamide |
Molecular Mass |
420.550 g·mol−1 |
Heat of Formation |
204.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.47 ± 1.08 D |
Volume |
531.19 Å 3 |
Surface Area |
457.3 Å 2 |
HOMO Energy |
-8.18 ± 0.55 eV |
LUMO Energy |
2.86 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XFYUTGIEFKGWND-NRFANRHFSA-N |
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Elements |
H
C
O
N
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