Geometry & MOs

Info

ID:	356622
PubChem CID:	127291848
Reduced:	OSN2C8H12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	272.174945
ΔH_f, kcal/mol:	-35.72
Dipole, Da:	3.44
IP(EA), eV:	-8.75(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)CCN3C=C(C=N3)C

DOS

IR

Vibrations