Geometry & MOs

Info

ID:	355809
PubChem CID:	127290661
Reduced:	SO2N5C16H29 (1)
Stoich.:	AB2C5D16E29 (1)
Weight, g/mol:	324.136845
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	0.54
IP(EA), eV:	-8.87(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylimidazol-2-yl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CCCN(CC1CC1)S(=O)(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations