[5-(6-Bromo[1,2,4]Triazolo[4,3-A]Pyridin-3-Yl)-2,4-Dihydroxyphenyl](3,4-Dihydro-2(1H)-Isoquinolinyl)Methanone

Molecule SVG Image

Properties Simple | Detailed

Formula C22H18BrN4O3+
IUPAC Name [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydro-2(1h)-isoquinolinyl)methanone
Molecular Mass 466.307 g·mol−1
Heat of Formation -49.9 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 458.99 Å 3
Surface Area 396.91 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.53 ± eV
Point Group Symmetry C1
InChIKey PQZGUYBCXAZFGQ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br O N