Formula |
C22H34N4O2 |
IUPAC Name |
(2s)-n-[(4-aminocyclohexyl)methyl]-1-[(2r)-2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide |
Molecular Mass |
386.531 g·mol−1 |
Heat of Formation |
-405.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.97 ± 1.08 D |
Volume |
509.94 Å 3 |
Surface Area |
383.94 Å 2 |
HOMO Energy |
-9.17 ± 0.55 eV |
LUMO Energy |
-0.06 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MDSVGJAUFNXYRR-WTGUMLROSA-N |
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Elements |
H
C
O
N
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