Geometry & MOs

Info

ID:	236928
PubChem CID:	92716321
Reduced:	FON4C28H29 (1)
Stoich.:	ABC4D28E29 (1)
Weight, g/mol:	383.268511
ΔH_f, kcal/mol:	-2.72
Dipole, Da:	6.45
IP(EA), eV:	-8.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-benzimidazol-2-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]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=C5F

DOS

IR

Vibrations