Geometry & MOs

Info

ID:	25686
PubChem CID:	629001
Reduced:	BrON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	414.126569
ΔH_f, kcal/mol:	30.72
Dipole, Da:	4.41
IP(EA), eV:	-9.13(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,8-dichloro-2-octylquinolin-4-yl)-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)Br)O

DOS

IR

Vibrations