Geometry & MOs

Info

ID:	247829
PubChem CID:	103076936
Reduced:	ClN5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	287.060759
ΔH_f, kcal/mol:	74.66
Dipole, Da:	7.3
IP(EA), eV:	-9.33(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-N-(1-methylsulfinylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC3(CCC3)C

DOS

IR

Vibrations