Geometry & MOs

Info

ID:	189358
PubChem CID:	77844552
Reduced:	ClSN7H24C29 (1)
Stoich.:	ABC7D24E29 (1)
Weight, g/mol:	378.230728
ΔH_f, kcal/mol:	179.98
Dipole, Da:	4.52
IP(EA), eV:	-8.86(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-hexoxyphenoxy)propyl]quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CN(N=N3)CC4=CC=CC=C4Cl)NC5=CC=C(C=C5)C)C#N

DOS

IR

Vibrations