Geometry & MOs

Info

ID:	136984
PubChem CID:	52134735
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	305.167417
ΔH_f, kcal/mol:	-6.96
Dipole, Da:	1.61
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentylsulfanyl-4-ethyl-5-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCC2=NN=C(O2)SCCN3CCOCC3)C

DOS

IR

Vibrations