Geometry & MOs

Info

ID:	362199
PubChem CID:	127307212
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-85.4
Dipole, Da:	1.89
IP(EA), eV:	-8.49(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2C3CCC2CC(C3)O)C

DOS

IR

Vibrations