Formula |
C21H28N6O |
IUPAC Name |
5-(5-isopropylbenzimidazol-1-ium-3-id-2-yl)-3-methyl-n-(1-methyl-4-piperidyl)pyrazol-1-ium-4-ide-4-carboxamide |
Molecular Mass |
380.487 g·mol−1 |
Heat of Formation |
89.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.19 ± 1.08 D |
Volume |
475.8 Å 3 |
Surface Area |
409.1 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
2.09 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PFGGMNGDLVJXNC-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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