Geometry & MOs

Info

ID:	79567
PubChem CID:	49829529
Reduced:	NO2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	434.304562
ΔH_f, kcal/mol:	-129.28
Dipole, Da:	3.62
IP(EA), eV:	-8.64(0.18)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[6-(4-benzylpiperazine-1,4-diium-1-yl)hexyl]-6-methoxyquinolin-8-amine

Drug info:

PubChemData

Smile

C[C@]12CCC[C@@]3(C1CC4C(C2)OC(=O)C4CN5CCN(CC5)C6=CC=C(C=C6)OC)CO3

DOS

IR

Vibrations