Geometry & MOs

Info

ID:	136999
PubChem CID:	52135545
Reduced:	SN5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	333.198717
ΔH_f, kcal/mol:	72.88
Dipole, Da:	8.52
IP(EA), eV:	-8.53(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCC2=CC=CC=C2C)CCC3=C(N(N=C3)C)C

DOS

IR

Vibrations