N-(Adamantan-2-Yl)-3-(2-Amino-5-Chloro-1H-Benzimidazol-1-Yl)Pentanamide

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Properties Simple | Detailed

Formula C22H29ClN4O
IUPAC Name (3s)-n-(2-adamantyl)-3-(2-amino-5-chloro-benzimidazol-1-yl)pentanamide
Molecular Mass 400.945 g·mol−1
Heat of Formation -202.1 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 478.62 Å 3
Surface Area 357.2 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey KMAKOMVKNWTGPE-LIXZBVSLSA-N
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