Geometry & MOs

Info

ID:	66156
PubChem CID:	46500332
Reduced:	FO4N8H21C22 (1)
Stoich.:	AB4C8D21E22 (1)
Weight, g/mol:	248.082187
ΔH_f, kcal/mol:	39.93
Dipole, Da:	2.16
IP(EA), eV:	-8.45(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N'-[(E)-(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations