Geometry & MOs

Info

ID:	293784
PubChem CID:	117401646
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	4.23
IP(EA), eV:	-8.74(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-methoxyquinolin-5-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1C)OCCO2)C3(CCC3)N=C=O

DOS

IR

Vibrations