Geometry & MOs

Info

ID:	333759
PubChem CID:	127252311
Reduced:	FO3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	392.164854
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	3.61
IP(EA), eV:	-9.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)C(=O)CCC4=CC=C(C=C4)F

DOS

IR

Vibrations