Geometry & MOs

Info

ID:	261889
PubChem CID:	103257142
Reduced:	FNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	264.09102
ΔH_f, kcal/mol:	-158.78
Dipole, Da:	2.93
IP(EA), eV:	-9.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)NC(COC)C(=O)O

DOS

IR

Vibrations