Geometry & MOs

Info

ID:	431470
PubChem CID:	135171551
Reduced:	FSO2N5C17H18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	-17.49
Dipole, Da:	6.02
IP(EA), eV:	-8.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(6-methyl-4-oxo-1H-pyrido[2,3-d]pyrimidin-7-yl)piperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)F)SNC2=CC3=C(N=C2)OCCN=C3/C=C\N

DOS

IR

Vibrations