Geometry & MOs

Info

ID:	369711
PubChem CID:	127335086
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	324.241293
ΔH_f, kcal/mol:	-28.69
Dipole, Da:	6.74
IP(EA), eV:	-9.27(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C=C1)C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations