Geometry & MOs

Info

ID:	423684
PubChem CID:	135119985
Reduced:	OSF4N6C12H12 (1)
Stoich.:	ABC4D6E12F12 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-141.58
Dipole, Da:	6.13
IP(EA), eV:	-9.3(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-ylmethyl)amino]ethanone

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1F)N2CCN(CC2)C3=NN=C(S3)C(F)(F)F

DOS

IR

Vibrations