N-{(3S,4S)-4-[(6-Amino-2-Pyridinyl)Methyl]-3-Pyrrolidinyl}-1,2-Ethanediamine

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Properties Simple | Detailed

Formula C12H21N5
IUPAC Name n'-[(3s,4s)-4-[(6-amino-2-pyridyl)methyl]pyrrolidin-3-yl]ethane-1,2-diamine
Molecular Mass 235.329 g·mol−1
Heat of Formation 122.1 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 308.73 Å 3
Surface Area 286.16 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 3.12 ± eV
Point Group Symmetry C1
InChIKey BETYXZSFUFTOLC-GXSJLCMTSA-N
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Elements H C N