2-(Hydroxymethyl)-1,3,7,8,9,10-Hexahydropyrazolo[1,5-C]Quinazolin-6-Ium-1,2,7,8,9,10,10A,10B-Octaid-5-One
Properties
Property | Value |
---|---|
Formula | C11H11N3O2 |
IUPAC Name | 2-(hydroxymethyl)-1,3,7,8,9,10-hexahydropyrazolo[1,5-c]quinazolin-6-ium-1,2,7,8,9,10,10a,10b-octaid-5-one |
Molecular Mass | 217.224 g·mol−1 |
Heat of Formation | 28.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.21 ± 1.08 D |
Volume | 237.08 Å 3 |
Surface Area | 228.92 Å 2 |
HOMO Energy | -8.57 ± 0.55 eV |
LUMO Energy | 2.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | WEKUDWMOJZMRPL-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |