Geometry & MOs

Info

ID:	256684
PubChem CID:	103140686
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	306.067428
ΔH_f, kcal/mol:	-9.9
Dipole, Da:	3.76
IP(EA), eV:	-8.37(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-(5-nitroisoquinolin-8-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(C2=NN(C=C2)C)NN)OC

DOS

IR

Vibrations