Geometry & MOs

Info

ID:	127186
PubChem CID:	50993595
Reduced:	N2F3O3H13C18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	430.075211
ΔH_f, kcal/mol:	-127.33
Dipole, Da:	9.31
IP(EA), eV:	-9.44(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-4-methyl-8-nitro-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]quinoline

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(C=C2[N+](=O)[O-])OC)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations