Geometry & MOs

Info

ID:	171653
PubChem CID:	75410551
Reduced:	FO2N5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	356.164854
ΔH_f, kcal/mol:	-78.39
Dipole, Da:	8.13
IP(EA), eV:	-9.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2C[C@@H]([C@@H](C2)F)OCC3=NC4=C(N3)C=CC=N4

DOS

IR

Vibrations