5,9-Dichloro-1H-Oxazolo[3,4-A]Azepin-3-One
Properties
Property | Value |
---|---|
Formula | C8H5Cl2NO2 |
IUPAC Name | 5,9-dichloro-1h-oxazolo[3,4-a]azepin-3-one |
Molecular Mass | 218.037 g·mol−1 |
Heat of Formation | -170.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.18 ± 1.08 D |
Volume | 213.35 Å 3 |
Surface Area | 199.32 Å 2 |
HOMO Energy | -8.73 ± 0.55 eV |
LUMO Energy | 1.55 ± eV |
Point Group Symmetry | Cs |
InChIKey | BQDBFOBDUWXGTL-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C Cl O N |