Geometry & MOs

Info

ID:	171654
PubChem CID:	75410552
Reduced:	FO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	326.154289
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	5.67
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S,4R)-1-benzyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C[C@@H]([C@@H](C2)F)OCC3=NC4=C(N3)C=CC=N4

DOS

IR

Vibrations