Geometry & MOs

Info

ID:	433141
PubChem CID:	135173278
Reduced:	IO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	23.94
Dipole, Da:	4.56
IP(EA), eV:	-9.25(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[4-(6-methylpyridin-3-yl)oxypiperidin-1-yl]-5,6-dihydropyrrolo[3,4-b]pyrazin-7-one

Drug info:

PubChemData

Smile

CC1=C(N=C2CNC(=O)C2=N1)N3CCC(CC3)OC4=CN=C(C=C4)I

DOS

IR

Vibrations