Geometry & MOs

Info

ID:	271563
PubChem CID:	103684125
Reduced:	ClSO2N3C14H22 (1)
Stoich.:	ABC2D3E14F22 (1)
Weight, g/mol:	277.136117
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	5.53
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(2-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

COCCN1C(=O)C(=C(C=N1)NC2CCCCC2SC)Cl

DOS

IR

Vibrations