Formula |
C18H12F6N6O |
IUPAC Name |
(z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl]-n'-(2-pyridyl)prop-2-enehydrazide |
Molecular Mass |
442.318 g·mol−1 |
Heat of Formation |
-873.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.06 ± 1.08 D |
Volume |
460.26 Å 3 |
Surface Area |
349.4 Å 2 |
HOMO Energy |
-9.20 ± 0.55 eV |
LUMO Energy |
1.37 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OPAKEJZFFCECPN-XQRVVYSFSA-N |
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Elements |
H
C
N
O
F
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