Geometry & MOs

Info

ID:	236936
PubChem CID:	92716333
Reduced:	FON4C30H33 (1)
Stoich.:	ABC4D30E33 (1)
Weight, g/mol:	462.27949
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	3.96
IP(EA), eV:	-8.49(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F

DOS

IR

Vibrations