Geometry & MOs

Info

ID:	433126
PubChem CID:	135173263
Reduced:	S2O4N5C12H15 (1)
Stoich.:	A2B4C5D12E15 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-113.89
Dipole, Da:	11.58
IP(EA), eV:	-9.4(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CSC2=NC(C=C(N2)N)O)S(=O)(=O)N

DOS

IR

Vibrations