Geometry & MOs

Info

ID:	18073
PubChem CID:	536634
Reduced:	N2F3O4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	448.160992
ΔH_f, kcal/mol:	-187.36
Dipole, Da:	7.43
IP(EA), eV:	-9.24(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hexoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C2=C(C=CN=C2C(=C1)[N+](=O)[O-])C)OC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations