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

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Properties Simple | Detailed

Formula C11H10N6O3
IUPAC Name 2-[[(z)-(5-nitro-2h-isoquinolin-1-ylidene)methyl]amino]-1-oxo-guanidine
Molecular Mass 274.236 g·mol−1
Heat of Formation 450.2 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 295.69 Å 3
Surface Area 280.88 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -1.65 ± 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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