Geometry & MOs

Info

ID:	205030
PubChem CID:	80047340
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	299.041628
ΔH_f, kcal/mol:	55.65
Dipole, Da:	2.04
IP(EA), eV:	-8.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)sulfanylquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1N)C2=NN3C=C(C=CC3=N2)C

DOS

IR

Vibrations