2-Amino-6-[(4-Nitro-N-Prop-2-Ynyl-Anilino)Methyl]-1H-Quinazolin-3-Ium-4-One
Properties
Property | Value |
---|---|
Formula | C18H16N5O3+ |
IUPAC Name | 2-amino-6-[(4-nitro-n-prop-2-ynyl-anilino)methyl]-1h-quinazolin-3-ium-4-one |
Molecular Mass | 350.351 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 |
QR Code | Generate QR Code |
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Elements | H C O N |