Geometry & MOs

Info

ID:	43690
PubChem CID:	10321652
Reduced:	ClO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	453.076375
ΔH_f, kcal/mol:	-211.88
Dipole, Da:	6.43
IP(EA), eV:	-9.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-4-[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]-7-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)[C@@H]2[C@@H]([C@H]([C@H]2C(=O)OC)C(=O)OC)C3=C(C=CC=C3Cl)OC

DOS

IR

Vibrations