Geometry & MOs

Info

ID:	306125
PubChem CID:	125001691
Reduced:	SO3N4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	346.144119
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	3.43
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@]1(CN(CCO1)C=O)C(=O)N2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations