Geometry & MOs

Info

ID:	929
PubChem CID:	3545
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-18.16
Dipole, Da:	4.91
IP(EA), eV:	-9.22(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperazin-1-ylsulfonylisoquinoline

Drug info:

PubChemData

Smile

C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations