2-{4-[(4-Methyl-1-Piperazinyl)Carbonyl]Phenyl}-4H-Chromen-4-One
Properties
Property | Value |
---|---|
Formula | C21H21N2O3+ |
IUPAC Name | 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]chromen-4-one |
Molecular Mass | 349.403 g·mol−1 |
Heat of Formation | -187.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.72 ± 1.08 D |
Volume | 414.55 Å 3 |
Surface Area | 363.75 Å 2 |
HOMO Energy | -9.14 ± 0.55 eV |
LUMO Energy | 1.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | GCCLEHACQGEQIL-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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Elements | H C O N |