N''-[(Z)-(5-Nitro-1(2H)-Isoquinolinylidene)Methyl]-N-Oxocarbonohydrazonic Diamide

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Formula C11H18N6O3
IUPAC Name 2-[[(z)-(5-nitro-2,3,4,6,7,8-hexahydroisoquinoline-3,4,4a,5,6,7,8,8a-octaid-1-ylidene)methyl]amino]-1-oxo-guanidine
Molecular Mass 282.299 g·mol−1
Heat of Formation 449.9 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 295.27 Å 3
Surface Area 280.13 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1-keto-2-[[(z)-(5-nitro-2h-isoquinolin-1-ylidene)methyl]amino]guanidine
  • 2-[[(z)-(5-nitro-2h-isoquinolin-1-ylidene)methyl]amino]-1-oxo-guanidine
InChIKey HUCGVDGGSFAHCS-TWGQIWQCSA-N
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