N''-[(Z)-1(2H)-Isoquinolinylidenemethyl]-N-Oxocarbonohydrazonic Diamide

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Properties Simple | Detailed

Formula C11H11N5O
IUPAC Name [[(z)-3,4,5,6,7,8-hexahydro-2h-isoquinoline-3,4,4a,5,6,7,8,8a-octaid-1-ylidenemethyl]amino]-[(e)-n'-oxidocarbamimidoyl]azanide
Molecular Mass 229.238 g·mol−1
Heat of Formation 463.4 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 264.95 Å 3
Surface Area 257.31 Å 2
HOMO Energy -7.84 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey TVACBFOBEFZWQC-YFHOEESVSA-N
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