Geometry & MOs

Info

ID:	297481
PubChem CID:	117618718
Reduced:	ClNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	211.060884
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	3.47
IP(EA), eV:	-9.11(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C2=C(ON=C2C)C

DOS

IR

Vibrations