Geometry & MOs

Info

ID:	227728
PubChem CID:	87562322
Reduced:	ClN4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	227.026823
ΔH_f, kcal/mol:	76.35
Dipole, Da:	4.96
IP(EA), eV:	-8.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-(2,6-difluorophenyl)-1,3-dihydroxy-3-oxoprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CN1C(=CC2=C1N=C(C=C2)Cl)C3=CN=CC(=C3)CN

DOS

IR

Vibrations