Formula |
C30H34ClN7O3 |
IUPAC Name |
4-[[1-[3-(3-amino-3-oxo-propyl)-5-chloro-phenyl]-3-methyl-pyrazolo[4,3-c]pyridin-1-ium-6-yl]amino]-3-methoxy-n-(1-methyl-4-piperidyl)benzamide |
Molecular Mass |
576.089 g·mol−1 |
Heat of Formation |
-136.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.46 ± 1.08 D |
Volume |
677.02 Å 3 |
Surface Area |
595.74 Å 2 |
HOMO Energy |
-8.36 ± 0.55 eV |
LUMO Energy |
-1.17 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NRECIWMNKXRLNI-UHFFFAOYSA-N |
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Elements |
H
C
N
O
Cl
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