4-{[(5-Amino-4-Hydroxy-3,4-Dihydro-2H-Pyrrol-2-Yl)Carbonyl]Amino}-N-[(1E)-3,3-Diamino-2-Propen-1-Ylidene]-1H-Pyrrole-2-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C13H17N7O3
IUPAC Name (ne)-3-[[(2s,4s)-5-amino-4-hydroxy-3,4-dihydro-2h-pyrrole-2-carbonyl]amino]-n-(3,3-diaminoprop-2-enylidene)-2h-pyrrol-1-ium-2-ylium-5-carboxamide
Molecular Mass 319.319 g·mol−1
Heat of Formation -214.6 ± 16.7 kJ·mol−1
Dipole Moment 8.40 ± 1.08 D
Volume 359.39 Å 3
Surface Area 342.62 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey FEZFZAMQERADMD-MQNHMYIZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N