Geometry & MOs

Info

ID:	426857
PubChem CID:	135154184
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	26.12
Dipole, Da:	5.74
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations