Geometry & MOs

Info

ID:	123978
PubChem CID:	50868593
Reduced:	FN3O3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	487.210721
ΔH_f, kcal/mol:	-131.57
Dipole, Da:	9.31
IP(EA), eV:	-8.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(1,3-benzodioxol-5-yl)-5-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F)C(=CC1(C)C)C

DOS

IR

Vibrations