2-Amino-6-[(4-Nitro-N-Prop-2-Ynyl-Anilino)Methyl]-1H-Quinazolin-3-Ium-4-One

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Formula C18H15N5O3
IUPAC Name 2-amino-6-[(4-nitro-n-prop-2-ynyl-anilino)methyl]-1h-quinazolin-3-ium-4-one
Molecular Mass 349.343 g·mol−1
Heat of Formation 362.9 ± 16.7 kJ·mol−1
Dipole Moment 14.91 ± 1.08 D
Volume 396.72 Å 3
Surface Area 352.0 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey GYZXIGYYYWVVTC-UHFFFAOYSA-O
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