Geometry & MOs

Info

ID:	426838
PubChem CID:	135154100
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-114.45
Dipole, Da:	4.5
IP(EA), eV:	-9.17(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-7-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC3=C(COC3)N=C2)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations