3-Ethoxy-1-Oxo-1,2,5,6,7,8-Hexahydro-4-Isoquinolinecarbonitrile
Properties
Property | Value |
---|---|
Formula | C12H14N2O2 |
IUPAC Name | 3-ethoxy-1-oxo-5,6,7,8-tetrahydro-2h-isoquinoline-4-carbonitrile |
Molecular Mass | 218.252 g·mol−1 |
Heat of Formation | -239.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.17 ± 1.08 D |
Volume | 267.29 Å 3 |
Surface Area | 245.5 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 2.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | FUXYAKZGUPEEGZ-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |