Geometry & MOs

Info

ID:	228181
PubChem CID:	87563607
Reduced:	ClSO2N3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	6.53
IP(EA), eV:	-9.22(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-hydroxy-2-methylphenoxy)quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N.Cl

DOS

IR

Vibrations