Geometry & MOs

Info

ID:

335992

PubChem CID:

127254999

Reduced:

ClFNO5H25C35 (1)

Stoich.:

ABCD5E25F35 (1)

Weight, g/mol:

523.221954

ΔHf, kcal/mol:

-105.42

Dipole, Da:

7.81

IP(EA), eV:

 -8.34(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-8-(6-methoxy-2-morpholin-4-ylquinolin-3-yl)-11-methyl-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)Cl)C(=O)C7=CC=C(C=C7)F)OC

DOS

IR

Vibrations