Geometry & MOs

Info

ID:	247855
PubChem CID:	103077107
Reduced:	ClSN6H7C10 (1)
Stoich.:	ABC6D7E10 (1)
Weight, g/mol:	272.04986
ΔH_f, kcal/mol:	137.0
Dipole, Da:	5.03
IP(EA), eV:	-9.56(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-(3-methoxypropylsulfanyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SC3=NC=CN=C3

DOS

IR

Vibrations