N-(1H-Benzimidazol-2-Ylmethyl)-N-[(8S)-5,6,7,8-Tetrahydro-8-Quinolinyl]-1,4-Butanediamine

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Properties Simple | Detailed

Formula C21H27N5
IUPAC Name n'-(benzimidazol-1-ium-2-ylium-2-ylmethyl)-n'-[(8s)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Molecular Mass 349.473 g·mol−1
Heat of Formation 285.2 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 441.69 Å 3
Surface Area 374.0 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • 4-aminobutyl-(1h-benzimidazol-2-ylmethyl)-[(8s)-5,6,7,8-tetrahydroquinolin-8-yl]amine
InChIKey WVLHHLRVNDMIAR-IBGZPJMESA-N
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Elements H C N