Geometry & MOs

Info

ID:	236935
PubChem CID:	92716332
Reduced:	FON5C30H40 (1)
Stoich.:	ABC5D30E40 (1)
Weight, g/mol:	484.26384
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	7.72
IP(EA), eV:	-8.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(2S)-4-phenylbutan-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