Geometry & MOs

Info

ID:	146848
PubChem CID:	53759560
Reduced:	NO5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	430.148177
ΔH_f, kcal/mol:	-153.29
Dipole, Da:	3.25
IP(EA), eV:	-8.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-N-(2-chlorophenyl)-8-(3-methylsulfinylpropoxy)quinolin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=C2C[C@H](N(C2)C(=O)OCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations