Geometry & MOs

Info

ID:

336057

PubChem CID:

127255064

Reduced:

N3O4H33C37 (1)

Stoich.:

A3B4C33D37 (1)

Weight, g/mol:

451.200825

ΔHf, kcal/mol:

-10.23

Dipole, Da:

5.07

IP(EA), eV:

 -8.21(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-8-[2-(dimethylamino)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

CN(C)C1=CC=C(C=C1)[C@H]2[C@@H](N3C=CC4=CC=CC=C4C3[C@@]2(C#N)C(=O)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations