Formula |
C13H17N7O2 |
IUPAC Name |
(ne)-3-[[(2s)-5-amino-3,4-dihydro-2h-pyrrole-2-carbonyl]amino]-n-(3,3-diaminoprop-2-enylidene)-2h-pyrrol-1-ium-2-ylium-5-carboxamide |
Molecular Mass |
303.320 g·mol−1 |
Heat of Formation |
-34.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.82 ± 1.08 D |
Volume |
348.91 Å 3 |
Surface Area |
339.01 Å 2 |
HOMO Energy |
-8.03 ± 0.55 eV |
LUMO Energy |
-0.77 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PPWJRIYYHYBQEA-YFQZBADGSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|