Geometry & MOs

Info

ID:	417723
PubChem CID:	135102566
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	334.169271
ΔH_f, kcal/mol:	-95.23
Dipole, Da:	3.42
IP(EA), eV:	-9.09(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-1-[2-(4-fluorophenoxy)ethyl]-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations