Geometry & MOs

Info

ID:	425895
PubChem CID:	135129479
Reduced:	ClF4N4O5H17C25 (1)
Stoich.:	AB4C4D5E17F25 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-299.17
Dipole, Da:	5.43
IP(EA), eV:	-9.9(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-aminononane-2,4-dione

Drug info:

PubChemData

Smile

C1COCN1C(=O)C2=CC(=C(N=C2)C(=N)C3=C(C=C(C=C3)C(=O)O)F)NC(=O)C4=C(C=CC=C4Cl)C(F)(F)F

DOS

IR

Vibrations