Geometry & MOs

Info

ID:	426972
PubChem CID:	135154810
Reduced:	O2N3H19C26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	53.97
Dipole, Da:	2.85
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CN=CC=C5

DOS

IR

Vibrations