Geometry & MOs

Info

ID:	333758
PubChem CID:	127252310
Reduced:	O2F3N4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	411.170668
ΔH_f, kcal/mol:	-170.41
Dipole, Da:	5.79
IP(EA), eV:	-9.44(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=NC=CN3C)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations