Geometry & MOs

Info

ID:	183540
PubChem CID:	77035407
Reduced:	F2O2N4C11H12 (1)
Stoich.:	A2B2C4D11E12 (1)
Weight, g/mol:	295.085144
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	3.68
IP(EA), eV:	-8.56(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[amino(nitroso)methylidene]-2H-pyrazin-2-yl]sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

C1C(NCC(=C(N)N=O)N1)OC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations