Formula |
C16H22ClN3O |
IUPAC Name |
(3s)-3-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-ylmethyl)-1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-ol |
Molecular Mass |
307.818 g·mol−1 |
Heat of Formation |
-57.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.41 ± 1.08 D |
Volume |
382.64 Å 3 |
Surface Area |
318.42 Å 2 |
HOMO Energy |
-9.51 ± 0.55 eV |
LUMO Energy |
-0.14 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PXMNMQRDXWABCY-MRXNPFEDSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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