Geometry & MOs

Info

ID:	54500
PubChem CID:	17388781
Reduced:	F2N2O2H16C27 (1)
Stoich.:	A2B2C2D16E27 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	2.28
IP(EA), eV:	-9.23(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[1-(3-aminoanilino)ethylidene]-6-methylpyran-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2F)C(=O)N(C3=CC=CC=N3)C(=O)C4=CC=C(C5=CC=CC=C54)F

DOS

IR

Vibrations