Geometry & MOs

Info

ID:	357714
PubChem CID:	127294388
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	4.15
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)S(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations