Geometry & MOs

Info

ID:

13269

PubChem CID:

224726

Reduced:

ClN3O6C42H44 (1)

Stoich.:

AB3C6D42E44 (1)

Weight, g/mol:

721.291864

ΔHf, kcal/mol:

-174.28

Dipole, Da:

7.02

IP(EA), eV:

 -8.48(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(8-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC1=C2C=CC=C(C2=NC=C1C)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

DOS

IR

Vibrations