Geometry & MOs

Info

ID:	355803
PubChem CID:	127290655
Reduced:	SO3N6C16H20 (1)
Stoich.:	AB3C6D16E20 (1)
Weight, g/mol:	328.156912
ΔH_f, kcal/mol:	0.18
Dipole, Da:	6.83
IP(EA), eV:	-9.04(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylimidazol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfonyl)piperazine

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)S(=O)(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations