Geometry & MOs

Info

ID:	377869
PubChem CID:	134223934
Reduced:	ON4H6C8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	266.062219
ΔH_f, kcal/mol:	57.89
Dipole, Da:	6.28
IP(EA), eV:	-9.02(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3Z)-3-[(3-chloro-4-fluoroanilino)methylidene]-5-(methylideneamino)pent-4-en-2-one

Drug info:

PubChemData

Smile

C1=CN=C(C2=C1C(=C(O2)N)N)C#N

DOS

IR

Vibrations