Geometry & MOs

Info

ID:	247854
PubChem CID:	103077106
Reduced:	ClSN4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	278.014143
ΔH_f, kcal/mol:	63.91
Dipole, Da:	5.48
IP(EA), eV:	-9.32(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SCC3CCCC3

DOS

IR

Vibrations