Geometry & MOs

Info

ID:	24299
PubChem CID:	609154
Reduced:	ClN2O2F3H14C18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	382.06959
ΔH_f, kcal/mol:	-177.23
Dipole, Da:	6.86
IP(EA), eV:	-8.35(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-chloro-3-(trifluoromethyl)phenoxy]-6-methoxy-4-methylquinolin-8-amine

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C(C2=NC=C1)N)OC)OC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations