Geometry & MOs

Info

ID:	236938
PubChem CID:	92716336
Reduced:	FON4C28H35 (1)
Stoich.:	ABC4D28E35 (1)
Weight, g/mol:	462.27949
ΔH_f, kcal/mol:	-53.11
Dipole, Da:	1.26
IP(EA), eV:	-8.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]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=CC=C5F

DOS

IR

Vibrations