2,7-Dimethyl-6-[(1-Propyn-1-Ylamino)Methyl]-4(1H)-Quinazolinone

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Formula C14H15N3O
IUPAC Name 2,7-dimethyl-6-[(prop-1-ynylamino)methyl]-3h-quinazolin-1-ium-4a-id-4-one
Molecular Mass 241.288 g·mol−1
Heat of Formation 129.8 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 296.53 Å 3
Surface Area 285.04 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
InChIKey VHJQNTIPWBTKDM-UHFFFAOYSA-O
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