Geometry & MOs

Info

ID:	257144
PubChem CID:	103144041
Reduced:	O5C15H24 (1)
Stoich.:	A5B15C24 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-251.42
Dipole, Da:	6.43
IP(EA), eV:	-9.83(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-ylbutanoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(C2CCCC2)(C(=O)O)C(=O)OC

DOS

IR

Vibrations