Geometry & MOs

Info

ID:	136992
PubChem CID:	52134967
Reduced:	OSN6C14H22 (1)
Stoich.:	ABC6D14E22 (1)
Weight, g/mol:	341.167417
ΔH_f, kcal/mol:	29.69
Dipole, Da:	6.06
IP(EA), eV:	-8.92(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N(C)C)CCC2=CN(N=C2)C

DOS

IR

Vibrations