Geometry & MOs

Info

ID:	332198
PubChem CID:	127250484
Reduced:	FN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	378.149204
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	4.08
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[2-(6-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=C(C=C2)F)C3=CC=CC(=N3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations