N-{[(2S)-1-Allyl-2-Pyrrolidinyl]Methyl}-5-Methoxy-1H-Benzotriazole-6-Carboxamide

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Properties Simple | Detailed

Formula C16H21N5O2
IUPAC Name n-[[(1s,2s)-1-allylpyrrolidin-2-yl]methyl]-6-methoxy-benzotriazole-5-carboxamide
Molecular Mass 315.370 g·mol−1
Heat of Formation 76.0 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 387.6 Å 3
Surface Area 338.78 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey KSEYRUGYKHXGFW-NSHDSACASA-N
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