N-(2,6-Diethylphenyl)-3-(4-(4-Methylpiperazin-1-Yl)Benzoylamino)-4,6-Dihydro-1H-Pyrrolo(3,4-C)Pyrazole-5-Carboxamide
Properties
Property | Value |
---|---|
Formula | C28H35N7O2 |
IUPAC Name | n-(2,6-diethylphenyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-2-ide-5-carboxamide |
Molecular Mass | 501.623 g·mol−1 |
Heat of Formation | 113.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.82 ± 1.08 D |
Volume | 609.88 Å 3 |
Surface Area | 530.99 Å 2 |
HOMO Energy | -8.61 ± 0.55 eV |
LUMO Energy | -0.21 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | OBWNXGOQPLDDPS-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |