Geometry & MOs

Info

ID:	149590
PubChem CID:	53789264
Reduced:	H5F9C13 (1)
Stoich.:	A5B9C13 (1)
Weight, g/mol:	426.37091
ΔH_f, kcal/mol:	-425.46
Dipole, Da:	7.37
IP(EA), eV:	-10.24(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hexyl-2-undecylnonanedioic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(F)(F)F)C(=C(C=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations