Geometry & MOs

Info

ID:	236923
PubChem CID:	92716308
Reduced:	FON4C28H35 (1)
Stoich.:	ABC4D28E35 (1)
Weight, g/mol:	448.26384
ΔH_f, kcal/mol:	-54.0
Dipole, Da:	5.37
IP(EA), eV:	-8.51(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

DOS

IR

Vibrations