Geometry & MOs

Info

ID:	348647
PubChem CID:	127273758
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	259.154544
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	8.79
IP(EA), eV:	-9.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyridazine

Drug info:

PubChemData

Smile

CC1CCN(C1)CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations