Geometry & MOs

Info

ID:	355799
PubChem CID:	127290651
Reduced:	SO2N6C14H22 (1)
Stoich.:	AB2C6D14E22 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	7.91
IP(EA), eV:	-8.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations