Geometry & MOs

Info

ID:	128401
PubChem CID:	51042894
Reduced:	OCl2N3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	36.8
Dipole, Da:	6.55
IP(EA), eV:	-8.38(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-ethylanilino)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\NC2=C(C(=CC=C2)Cl)Cl)C3=CC=CC=C3

DOS

IR

Vibrations