Geometry & MOs

Info

ID:	297330
PubChem CID:	117615189
Reduced:	ON4C25H32 (1)
Stoich.:	AB4C25D32 (1)
Weight, g/mol:	406.309647
ΔH_f, kcal/mol:	22.82
Dipole, Da:	5.26
IP(EA), eV:	-8.86(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-[(1R)-1-cyclohexylethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-[(3S)-pyrrolidin-3-yl]benzimidazole

Drug info:

PubChemData

Smile

C1CNC[C@@H]1C2=NC3=CC=CC=C3N2C4CCN(CC4)CCOCC5=CC=CC=C5

DOS

IR

Vibrations