Geometry & MOs

Info

ID:	171655
PubChem CID:	75410553
Reduced:	FON4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	357.160103
ΔH_f, kcal/mol:	-0.48
Dipole, Da:	3.61
IP(EA), eV:	-9.19(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](CN1CC2=CC=CC=C2)F)OCC3=NC4=C(N3)C=CC=N4

DOS

IR

Vibrations