Geometry & MOs

Info

ID:	421303
PubChem CID:	135115753
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	332.153621
ΔH_f, kcal/mol:	-33.82
Dipole, Da:	3.85
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C1(CCCCC1)CNC2=NC=C(C(=N2)C)C(=O)C

DOS

IR

Vibrations