Geometry & MOs

Info

ID:	431321
PubChem CID:	135171392
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-57.53
Dipole, Da:	1.5
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)OC2CCNCC2)Cl

DOS

IR

Vibrations