Geometry & MOs

Info

ID:

334286

PubChem CID:

127252838

Reduced:

N2O6H18C25 (1)

Stoich.:

A2B6C18D25 (1)

Weight, g/mol:

454.164105

ΔHf, kcal/mol:

-107.52

Dipole, Da:

6.56

IP(EA), eV:

 -8.31(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-8-(6-methoxy-2-oxo-1H-quinolin-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=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)NC(=O)C5=CC=C(C=C5)O)OC

DOS

IR

Vibrations