Formula |
C19H17ClN4 |
IUPAC Name |
(2s)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-ylmethyl)-4-(4-chlorophenyl)-2-phenyl-butanenitrile |
Molecular Mass |
336.818 g·mol−1 |
Heat of Formation |
462.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.92 ± 1.08 D |
Volume |
406.8 Å 3 |
Surface Area |
340.3 Å 2 |
HOMO Energy |
-9.76 ± 0.55 eV |
LUMO Energy |
-0.40 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RQDJADAKIFFEKQ-LJQANCHMSA-N |
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Elements |
H
C
N
Cl
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