Geometry & MOs

Info

ID:	400053
PubChem CID:	135044863
Reduced:	SO3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	251.034921
ΔH_f, kcal/mol:	-76.64
Dipole, Da:	1.82
IP(EA), eV:	-9.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-methoxy-2-methylquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(=O)C2=CC=CC=C2OC1(C3=CC=CS3)O)C

DOS

IR

Vibrations