Geometry & MOs

Info

ID:	355820
PubChem CID:	127290672
Reduced:	SO2N6C14H22 (1)
Stoich.:	AB2C6D14E22 (1)
Weight, g/mol:	324.136845
ΔH_f, kcal/mol:	-8.96
Dipole, Da:	6.97
IP(EA), eV:	-8.39(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylpyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)N2CCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations