Geometry & MOs

Info

ID:	228384
PubChem CID:	87564147
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	415.02416
ΔH_f, kcal/mol:	-137.1
Dipole, Da:	2.71
IP(EA), eV:	-8.42(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-bromo-4-propan-2-ylsulfanylphenoxy)quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C(=C1)C=C)OCC)OCC)OCC

DOS

IR

Vibrations