4-Methyl-3H-Pyrimido[4,5-B][1,5]Benzodiazepine-1,6,11-Triium-2,5-Dione
Properties
Property | Value |
---|---|
Formula | C12H21N4O2+ |
IUPAC Name | 4-methyl-3h-pyrimido[4,5-b][1,5]benzodiazepine-1,6,11-triium-2,5-dione |
Molecular Mass | 253.321 g·mol−1 |
Heat of Formation | -126.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.55 ± 1.08 D |
Volume | 262.98 Å 3 |
Surface Area | 244.63 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | -1.12 ± eV |
Point Group Symmetry | C1 |
InChIKey | PGGWHLKDVDOFTR-UHFFFAOYSA-P |
QR Code | Generate QR Code |
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Elements | H C O N |