Geometry & MOs

Info

ID:	247843
PubChem CID:	103077046
Reduced:	ClSN6H7C10 (1)
Stoich.:	ABC6D7E10 (1)
Weight, g/mol:	256.054945
ΔH_f, kcal/mol:	134.51
Dipole, Da:	5.73
IP(EA), eV:	-9.55(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SC3=NC=CC=N3

DOS

IR

Vibrations