Geometry & MOs

Info

ID:	228025
PubChem CID:	87563243
Reduced:	BrClFeN2H10C18 (1)
Stoich.:	ABCD2E10F18 (1)
Weight, g/mol:	320.219889
ΔH_f, kcal/mol:	195.77
Dipole, Da:	6.68
IP(EA), eV:	-8.83(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dihydroxy-2-methylidenenonanoic acid;hexane-1,1-diol

Drug info:

PubChemData

Smile

[CH-]1[CH-][CH-][CH-][CH-]1.C1=C[C-](C(=C1)Br)C2=C(C=C(C(=C2)C#N)C#N)Cl.[Fe]

DOS

IR

Vibrations