Geometry & MOs

Info

ID:	423658
PubChem CID:	135119953
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	3.33
IP(EA), eV:	-8.66(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)CC2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations