Geometry & MOs

Info

ID:	60271
PubChem CID:	26676066
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	286.07537
ΔH_f, kcal/mol:	-77.24
Dipole, Da:	6.55
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-1,3-oxazole

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)COC2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations