Geometry & MOs

Info

ID:	165639
PubChem CID:	74579279
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	419.268511
ΔH_f, kcal/mol:	-3.87
Dipole, Da:	5.04
IP(EA), eV:	-8.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC=CS5

DOS

IR

Vibrations