Geometry & MOs

Info

ID:	124024
PubChem CID:	50869983
Reduced:	FN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	503.205636
ΔH_f, kcal/mol:	-164.49
Dipole, Da:	11.24
IP(EA), eV:	-8.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations