Geometry & MOs

Info

ID:	332007
PubChem CID:	127250293
Reduced:	FN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	378.149204
ΔH_f, kcal/mol:	-95.85
Dipole, Da:	4.95
IP(EA), eV:	-9.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations