Geometry & MOs

Info

ID:	345178
PubChem CID:	127268938
Reduced:	SO2N5C15H25 (1)
Stoich.:	AB2C5D15E25 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-16.72
Dipole, Da:	6.47
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pyridazin-3-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CCCN(CC1CC1)S(=O)(=O)N2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations