Geometry & MOs

Info

ID:	247844
PubChem CID:	103077047
Reduced:	ClSN4C10H13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	228.023645
ΔH_f, kcal/mol:	61.34
Dipole, Da:	5.94
IP(EA), eV:	-9.33(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-ethylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCC(C)SC1=C(C(=NC2=NC=NN12)Cl)C

DOS

IR

Vibrations