Geometry & MOs

Info

ID:	355819
PubChem CID:	127290671
Reduced:	SO2N6C13H20 (1)
Stoich.:	AB2C6D13E20 (1)
Weight, g/mol:	338.152495
ΔH_f, kcal/mol:	2.56
Dipole, Da:	6.87
IP(EA), eV:	-8.56(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations