Geometry & MOs

Info

ID:	431380
PubChem CID:	135171455
Reduced:	FSO3N4C19H21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	4.69
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)F)SNC2=CC3=C(N=C2)OCCN=C3/C=C\N

DOS

IR

Vibrations