Geometry & MOs

Info

ID:

144284

PubChem CID:

53344385

Reduced:

BN3O5C56H85 (2)

Stoich.:

AB3C5D56E85 (2)

Weight, g/mol:

493.30529

ΔHf, kcal/mol:

-266.09

Dipole, Da:

5.06

IP(EA), eV:

 -7.56(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3,5-dimethylpyridin-4-yl)amino]-7-methoxy-8-[6-(4-methylpiperazin-1-yl)hexoxy]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CN3C=C(N=N3)C4=C(C=C(C(=C4)OCCCCCCCCCC)C#CC5=CC(=C(C=C5OCCCCCCCCCC)C#CC6=CC(=C(C=C6OCCCCCCCCCC)C7=CN(N=N7)CC8=CC=CC=C8B9OC(C(O9)(C)C)(C)C)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

DOS

IR

Vibrations