1-[1-(2-Cyanobenzyl)-5-Methyl-4,6-Dioxo-1,4,5,6-Tetrahydropyrrolo[3,4-D]Imidazol-2-Yl]-3-Piperidinaminium

Molecule SVG Image

Properties Simple | Detailed

Formula C19H14N6O2
IUPAC Name 1-[1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl]-3-piperidinaminium
Molecular Mass 358.353 g·mol−1
Heat of Formation 2462.5 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 378.45 Å 3
Surface Area 335.49 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -2.75 ± eV
Point Group Symmetry C1
InChIKey WVRGIUWTFUXDGX-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O N