Geometry & MOs

Info

ID:	236940
PubChem CID:	92716339
Reduced:	FON4C29H31 (1)
Stoich.:	ABC4D29E31 (1)
Weight, g/mol:	470.24819
ΔH_f, kcal/mol:	-6.63
Dipole, Da:	3.96
IP(EA), eV:	-8.47(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4F)C5=CC=CC=C5

DOS

IR

Vibrations