Geometry & MOs

Info

ID:	236934
PubChem CID:	92716331
Reduced:	FON5C30H40 (1)
Stoich.:	ABC5D30E40 (1)
Weight, g/mol:	505.321689
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	5.91
IP(EA), eV:	-8.46(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1CCCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F)C

DOS

IR

Vibrations