Geometry & MOs

Info

ID:	149653
PubChem CID:	53789327
Reduced:	H4N4O8C9 (1)
Stoich.:	A4B4C8D9 (1)
Weight, g/mol:	626.002202
ΔH_f, kcal/mol:	-60.92
Dipole, Da:	2.31
IP(EA), eV:	-10.92(-2.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)-5-methylterephthalic acid

Drug info:

PubChemData

Smile

C1=C2C=C(C(=O)NC2=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations