N3-Benzyl-2-[(6-Bromo-1,3-Benzodioxol-5-Yl)Methyl]-5H-Imidazo[1,2-A]Pyrazine-1,7-Diium-3,5-Diide-3,8-Diamine
Properties
Property | Value |
---|---|
Formula | C21H19BrN5O2+ |
IUPAC Name | n3-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5h-imidazo[1,2-a]pyrazine-1,7-diium-3,5-diide-3,8-diamine |
Molecular Mass | 453.312 g·mol−1 |
Heat of Formation | 222.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.99 ± 1.08 D |
Volume | 459.19 Å 3 |
Surface Area | 359.81 Å 2 |
HOMO Energy | -8.47 ± 0.55 eV |
LUMO Energy | 2.56 ± eV |
Point Group Symmetry | C1 |
InChIKey | WPGMKYTUHFCORL-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C Br O N |