Geometry & MOs

Info

ID:	13580
PubChem CID:	301206
Reduced:	N2F3O4H11C13 (1)
Stoich.:	A2B3C4D11E13 (1)
Weight, g/mol:	316.067091
ΔH_f, kcal/mol:	-193.31
Dipole, Da:	4.54
IP(EA), eV:	-8.92(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=C(C(=C12)OC)[N+](=O)[O-])OC)C(F)(F)F

DOS

IR

Vibrations