Geometry & MOs

Info

ID:	171656
PubChem CID:	75410571
Reduced:	FO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	377.165188
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	5.61
IP(EA), eV:	-9.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,4S)-3-fluoro-4-(1H-imidazo[4,5-b]pyridin-2-ylmethoxy)pyrrolidin-1-yl]methyl]quinoline

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)CN2C[C@@H]([C@@H](C2)F)OCC3=NC4=C(N3)C=CC=N4

DOS

IR

Vibrations