Geometry & MOs

Info

ID:	133426
PubChem CID:	51525285
Reduced:	FO2N4C28H32 (1)
Stoich.:	AB2C4D28E32 (1)
Weight, g/mol:	353.153955
ΔH_f, kcal/mol:	-4.91
Dipole, Da:	29.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892365
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)N4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7

DOS

IR

Vibrations