(2S)-2-(2-Phenyl-1H-Benzimidazol-1-Yl)-2-(4-Piperidinyl)Ethyl 1-(1-Benzyl-1H-Benzimidazol-2-Yl)-4-Piperidinecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C40H42N6O2
IUPAC Name [(2s)-2-(2-phenylbenzimidazol-1-ium-1-yl)-2-(4-piperidyl)ethyl] 1-(1-benzylbenzimidazol-2-yl)piperidine-4-carboxylate
Molecular Mass 638.800 g·mol−1
Heat of Formation 218.0 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 780.05 Å 3
Surface Area 559.24 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey WDALFJYWTFDSRP-DIPNUNPCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N