Geometry & MOs

Info

ID:	257148
PubChem CID:	103144066
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	1.0
IP(EA), eV:	-9.27(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-ylpentanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=C1C=NC=C2)C(=O)OC

DOS

IR

Vibrations