Formula |
C15H14N6O |
IUPAC Name |
(4r)-3-[(2e)-2-(1,2-dihydropyrazol-3-ylidene)benzimidazol-5-yl]-4-methyl-4,5-dihydro-1h-pyridazin-6-one |
Molecular Mass |
294.311 g·mol−1 |
Heat of Formation |
486.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.80 ± 1.08 D |
Volume |
336.34 Å 3 |
Surface Area |
310.12 Å 2 |
HOMO Energy |
-8.42 ± 0.55 eV |
LUMO Energy |
-1.96 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IVWLPHVNIIXKML-JNFXEEFXSA-N |
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Elements |
H
C
O
N
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