Geometry & MOs

Info

ID:	292609
PubChem CID:	117355981
Reduced:	ClN3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	3.76
IP(EA), eV:	-8.68(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-chloro-2-(fluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1O)Cl)C2=C(NN=C2)N)O)O

DOS

IR

Vibrations