Geometry & MOs

Info

ID:	85937
PubChem CID:	49880340
Reduced:	Cl2N3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	397.056679
ΔH_f, kcal/mol:	186.66
Dipole, Da:	3.35
IP(EA), eV:	-8.44(-7.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(3-methoxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NCCN.[Cl-].[Cl-]

DOS

IR

Vibrations