Geometry & MOs

Info

ID:	228348
PubChem CID:	87564045
Reduced:	NOH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	371.074678
ΔH_f, kcal/mol:	57.48
Dipole, Da:	2.01
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C(O2)CC3=CC=CN3)C4=CC=CC=C4

DOS

IR

Vibrations