Geometry & MOs

Info

ID:	137021
PubChem CID:	52140044
Reduced:	FON2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	288.163791
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	6.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.133603
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C[NH+](C1)CC2=NC=C(O2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations