Geometry & MOs

Info

ID:	187108
PubChem CID:	77530674
Reduced:	FO2N5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	344.224597
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	4.08
IP(EA), eV:	-8.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[(1-methylsulfonylpiperidin-3-yl)methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)F)OC2=C3C(=CN=C2N)C(=CO3)C4CNNC4C5CCNCC5

DOS

IR

Vibrations