Geometry & MOs

Info

ID:	181253
PubChem CID:	76722811
Reduced:	FSO4N6H31C32 (1)
Stoich.:	ABC4D6E31F32 (1)
Weight, g/mol:	381.160103
ΔH_f, kcal/mol:	-66.22
Dipole, Da:	9.85
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-aminophenyl)morpholin-4-yl]-6-(3-fluoropyridin-4-yl)-3-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1N2CCOC(C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)C6=C(C=NC=C6)F

DOS

IR

Vibrations