Geometry & MOs

Info

ID:	173071
PubChem CID:	75592967
Reduced:	OSN3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	59.13
Dipole, Da:	7.15
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-3-(5-propan-2-ylpyrazolidin-3-yl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CSCCC(CO)N1C=NC(=C1C2=CC=CC(=C2)C#N)C3=CC=CC=C3

DOS

IR

Vibrations