Geometry & MOs

Info

ID:	236926
PubChem CID:	92716319
Reduced:	FON4C30H31 (1)
Stoich.:	ABC4D30E31 (1)
Weight, g/mol:	456.23254
ΔH_f, kcal/mol:	-10.38
Dipole, Da:	3.45
IP(EA), eV:	-8.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)F

DOS

IR

Vibrations