Geometry & MOs

Info

ID:	257149
PubChem CID:	103144067
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-53.68
Dipole, Da:	4.71
IP(EA), eV:	-9.6(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-yl-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations