Geometry & MOs

Info

ID:	332680
PubChem CID:	127250966
Reduced:	SO3N6C17H18 (1)
Stoich.:	AB3C6D17E18 (1)
Weight, g/mol:	399.134282
ΔH_f, kcal/mol:	11.84
Dipole, Da:	3.54
IP(EA), eV:	-9.45(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)-1-[2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)C(=O)C4=C(N=CS4)C

DOS

IR

Vibrations