Geometry & MOs

Info

ID:	431401
PubChem CID:	135171476
Reduced:	ClON3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	4.26
Dipole, Da:	3.95
IP(EA), eV:	-9.68(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(NC=NC2=O)N=C1Cl

DOS

IR

Vibrations