Geometry & MOs

Info

ID:	187103
PubChem CID:	77530337
Reduced:	FSCl2N5O5C23H24 (1)
Stoich.:	ABC2D5E5F23G24 (1)
Weight, g/mol:	323.03096
ΔH_f, kcal/mol:	-186.99
Dipole, Da:	4.71
IP(EA), eV:	-8.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(2,3-dihydro-1H-inden-1-yl)quinoline

Drug info:

PubChemData

Smile

CCOC(=O)OC1=C(N=C(S1)N2CCC(C(C2)F)NC(=O)C3=C(C(=C(N3)C)Cl)Cl)C4=NC=CC(=C4)OC

DOS

IR

Vibrations