Geometry & MOs

Info

ID:	236941
PubChem CID:	92716340
Reduced:	FON4C29H31 (1)
Stoich.:	ABC4D29E31 (1)
Weight, g/mol:	448.26384
ΔH_f, kcal/mol:	-7.87
Dipole, Da:	6.07
IP(EA), eV:	-8.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1S,2R)-2-methylcyclohexyl]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