Formula |
C24H29N5O3 |
IUPAC Name |
4-(cyclopentoxymethyl)-n-[3-methoxy-4-(5-methyl-4h-imidazol-3-ium-4-ylium-3-yl)phenyl]-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-amine |
Molecular Mass |
435.519 g·mol−1 |
Heat of Formation |
-186.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.03 ± 1.08 D |
Volume |
522.09 Å 3 |
Surface Area |
440.37 Å 2 |
HOMO Energy |
-8.42 ± 0.55 eV |
LUMO Energy |
-0.77 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RMRFSIAFQBYBSN-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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