Geometry & MOs

Info

ID:	419510
PubChem CID:	135108330
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	334.132885
ΔH_f, kcal/mol:	-151.9
Dipole, Da:	6.0
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-2-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)C3=CC(=O)C4=C(N3)C(=CC=C4)F)O

DOS

IR

Vibrations