Geometry & MOs

Info

ID:	256686
PubChem CID:	103140697
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	292.051778
ΔH_f, kcal/mol:	-13.64
Dipole, Da:	2.39
IP(EA), eV:	-8.88(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(5-nitroisoquinolin-8-yl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCNCC1=NN(C=N1)CC2CCC(O2)C

DOS

IR

Vibrations