Geometry & MOs

Info

ID:	123690
PubChem CID:	50858947
Reduced:	ClN3O4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	481.176834
ΔH_f, kcal/mol:	-139.0
Dipole, Da:	10.92
IP(EA), eV:	-8.47(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1-(3-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3Cl)N(C(CC4C)(C)C)C)/C(=O)NC2=O

DOS

IR

Vibrations