Geometry & MOs

Info

ID:	153881
PubChem CID:	56313214
Reduced:	N3O3F4C23H23 (1)
Stoich.:	A3B3C4D23E23 (1)
Weight, g/mol:	357.172228
ΔH_f, kcal/mol:	-249.65
Dipole, Da:	7.35
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-propylsulfonylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N)OCC(F)(F)F

DOS

IR

Vibrations