Geometry & MOs

Info

ID:	369695
PubChem CID:	127335035
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	396.151907
ΔH_f, kcal/mol:	-7.51
Dipole, Da:	4.05
IP(EA), eV:	-9.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CCC3=NC4=CC=CC=C4O3)O

DOS

IR

Vibrations