Geometry & MOs

Info

ID:	133427
PubChem CID:	51525286
Reduced:	FO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	353.153955
ΔH_f, kcal/mol:	-36.35
Dipole, Da:	6.9
IP(EA), eV:	-9.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(=O)C2=CC(=NC3=C2C(=NO3)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations