Geometry & MOs

Info

ID:

123777

PubChem CID:

50861759

Reduced:

FN3O4C26H28 (1)

Stoich.:

AB3C4D26E28 (1)

Weight, g/mol:

491.205636

ΔHf, kcal/mol:

-178.03

Dipole, Da:

11.93

IP(EA), eV:

 -8.4(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-1-(1,3-benzodioxol-5-yl)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F)C(CC1(C)C)C

DOS

IR

Vibrations