Geometry & MOs

Info

ID:	293715
PubChem CID:	117397332
Reduced:	ClFNO4H5C10 (1)
Stoich.:	ABCD4E5F10 (1)
Weight, g/mol:	257.036732
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	1.79
IP(EA), eV:	-9.21(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chloro-3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

C\1=C(C=C(C(=O)/C1=C/2\C=C(NO2)C(=O)O)Cl)F

DOS

IR

Vibrations