Geometry & MOs

Info

ID:	226270
PubChem CID:	87350287
Reduced:	N3O3F6H9C14 (1)
Stoich.:	A3B3C6D9E14 (1)
Weight, g/mol:	384.15253
ΔH_f, kcal/mol:	-287.14
Dipole, Da:	2.29
IP(EA), eV:	-10.68(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecanoic acid;hydroiodide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C=O)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations