Geometry & MOs

Info

ID:	211062
PubChem CID:	80891833
Reduced:	OSN7C11H17 (1)
Stoich.:	ABC7D11E17 (1)
Weight, g/mol:	298.067051
ΔH_f, kcal/mol:	49.09
Dipole, Da:	7.18
IP(EA), eV:	-9.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)SC2=NN=C(O2)C)N(C)C

DOS

IR

Vibrations