Geometry & MOs

Info

ID:	248627
PubChem CID:	103083156
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	235.064471
ΔH_f, kcal/mol:	-120.48
Dipole, Da:	1.97
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-methoxy-2-methylquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1CCC(C1)NCC2=CC=C(S2)CC(=O)OC

DOS

IR

Vibrations