Geometry & MOs

Info

ID:	293468
PubChem CID:	117390431
Reduced:	NF2O4H7C11 (1)
Stoich.:	AB2C4D7E11 (1)
Weight, g/mol:	255.045547
ΔH_f, kcal/mol:	-155.84
Dipole, Da:	2.94
IP(EA), eV:	-9.75(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,4-difluorobenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1F)F)C2=NOC(=C2)C(=O)O

DOS

IR

Vibrations