5-(2-Chlorophenyl)-3-Methyl-7-Nitro-Pyrazolo[3,4-B][1,4]Benzodiazepine
Properties
Property | Value |
---|---|
Formula | C17H10ClN5O2 |
IUPAC Name | 5-(2-chlorophenyl)-3-methyl-7-nitro-pyrazolo[3,4-b][1,4]benzodiazepine |
Molecular Mass | 351.747 g·mol−1 |
Heat of Formation | 645.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.41 ± 1.08 D |
Volume | 372.54 Å 3 |
Surface Area | 320.09 Å 2 |
HOMO Energy | -9.70 ± 0.55 eV |
LUMO Energy | -0.61 ± eV |
Point Group Symmetry | C1 |
InChIKey | LTXKPOCVVJYSIY-UHFFFAOYSA-N |
QR Code | Generate QR Code |
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Elements | H C Cl O N |