Geometry & MOs

Info

ID:	309044
PubChem CID:	126535395
Reduced:	OSN8H16C21 (1)
Stoich.:	ABC8D16E21 (1)
Weight, g/mol:	259.090997
ΔH_f, kcal/mol:	201.95
Dipole, Da:	10.02
IP(EA), eV:	-8.46(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloropropylsulfanyl)-5-cyclopentyl-4-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)CO)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CSC=C6

DOS

IR

Vibrations