Geometry & MOs

Info

ID:	236942
PubChem CID:	92716341
Reduced:	FON4C27H33 (1)
Stoich.:	ABC4D27E33 (1)
Weight, g/mol:	448.26384
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	2.96
IP(EA), eV:	-8.58(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5F

DOS

IR

Vibrations