Geometry & MOs

Info

ID:	136970
PubChem CID:	52132676
Reduced:	OSN7C15H19 (1)
Stoich.:	ABC7D15E19 (1)
Weight, g/mol:	341.167417
ΔH_f, kcal/mol:	60.7
Dipole, Da:	7.21
IP(EA), eV:	-9.26(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=O)C=C(N1)CSC2=NN=C(N2C)C3=CC(=NN3C)C

DOS

IR

Vibrations