Geometry & MOs

Info

ID:	333711
PubChem CID:	127252263
Reduced:	O2F3N3H22C24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	366.144038
ΔH_f, kcal/mol:	-166.39
Dipole, Da:	5.97
IP(EA), eV:	-9.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations