Geometry & MOs

Info

ID:	85508
PubChem CID:	49876220
Reduced:	FNO2Cl3H16C23 (1)
Stoich.:	ABC2D3E16F23 (1)
Weight, g/mol:	433.985085
ΔH_f, kcal/mol:	-19.32
Dipole, Da:	6.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.922342
Charge, e:	-1

Chem-info

IUPAC name:

6-chloro-2-(2,4-dichlorophenyl)-3-methyl-4-phenylquinoline;chloride

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C4=CC=CC=C4F)Cl)OC.[Cl-]

DOS

IR

Vibrations