Geometry & MOs

Info

ID:	236931
PubChem CID:	92716328
Reduced:	FON4C28H29 (1)
Stoich.:	ABC4D28E29 (1)
Weight, g/mol:	456.23254
ΔH_f, kcal/mol:	-4.48
Dipole, Da:	6.13
IP(EA), eV:	-8.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F

DOS

IR

Vibrations