3,5-Dioxo-4-[3-(1-Piperidinyl)Propyl]-2-[3-(Trifluoromethyl)Phenyl]-2,3,4,5-Tetrahydro-1,2,4-Triazine-6-Carbonitrile
Properties
Property | Value |
---|---|
Formula | C19H20F3N5O2 |
IUPAC Name | 3,5-dioxo-4-[3-(1-piperidyl)propyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile |
Molecular Mass | 407.390 g·mol−1 |
Heat of Formation | -612.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.13 ± 1.08 D |
Volume | 455.49 Å 3 |
Surface Area | 407.43 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | 1.22 ± eV |
Point Group Symmetry | C1 |
InChIKey | HKAVWQNLXOMWLR-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |