Geometry & MOs

Info

ID:	257156
PubChem CID:	103144093
Reduced:	NO2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	24.71
Dipole, Da:	3.9
IP(EA), eV:	-9.52(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-isoquinolin-8-yl-4-oxopentanoate

Drug info:

PubChemData

Smile

COC(=O)C#CC1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations