N-{1-[1-(2-Amino-2-Oxoethyl)-1H-Tetrazol-5-Yl]-3-Methylbutyl}Prolinamide

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Properties Simple | Detailed

Formula C13H23N7O2
IUPAC Name (2r)-n-[(1r)-1-[1-(2-amino-2-oxo-ethyl)-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl]-3-methyl-butyl]pyrrolidine-2-carboxamide
Molecular Mass 309.367 g·mol−1
Heat of Formation -92.6 ± 16.7 kJ·mol−1
Dipole Moment 7.71 ± 1.08 D
Volume 390.62 Å 3
Surface Area 327.59 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
InChIKey QWUJJVSUPPZTOC-NXEZZACHSA-N
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