Geometry & MOs

Info

ID:	256705
PubChem CID:	103140829
Reduced:	SO2N4C10H18 (1)
Stoich.:	AB2C4D10E18 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-34.81
Dipole, Da:	3.87
IP(EA), eV:	-9.35(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-4-methylpentan-3-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2CCCCS2(=O)=O)NN

DOS

IR

Vibrations