Formula |
C25H23N3O3 |
IUPAC Name |
4-[(9-methoxy-4-oxo-spiro[3h-benzo[h][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methyl]benzonitrile |
Molecular Mass |
413.468 g·mol−1 |
Heat of Formation |
-103.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.76 ± 1.08 D |
Volume |
490.07 Å 3 |
Surface Area |
422.54 Å 2 |
HOMO Energy |
-8.56 ± 0.55 eV |
LUMO Energy |
2.04 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IFFDMBLMXJBGLL-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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