Geometry & MOs

Info

ID:	332114
PubChem CID:	127250400
Reduced:	FN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-85.65
Dipole, Da:	5.32
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenoxy)-2-methyl-1-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OC)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations