Geometry & MOs

Info

ID:	171657
PubChem CID:	75410572
Reduced:	FON5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	357.160103
ΔH_f, kcal/mol:	26.68
Dipole, Da:	4.48
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S,4R)-4-fluoro-1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](CN1CC2=CC=NC3=CC=CC=C23)F)OCC4=NC5=C(N4)C=CC=N5

DOS

IR

Vibrations