Geometry & MOs

Info

ID:

5027

PubChem CID:

12474

Reduced:

N3O7C42H45 (1)

Stoich.:

A3B7C42D45 (1)

Weight, g/mol:

703.325751

ΔHf, kcal/mol:

-212.34

Dipole, Da:

2.15

IP(EA), eV:

 -8.02(-1.25)

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;1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2.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