Geometry & MOs

Info

ID:	431381
PubChem CID:	135171456
Reduced:	O3N5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-50.31
Dipole, Da:	8.75
IP(EA), eV:	-9.24(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-1,6-dimethylpyrido[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(NC(=O)NC2=O)N=C1N3CCC(CC3)OC4=CC=CC(=C4)C#N

DOS

IR

Vibrations