Geometry & MOs

Info

ID:	53621
PubChem CID:	14717640
Reduced:	NO2F3H6C7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	334.043991
ΔH_f, kcal/mol:	-169.69
Dipole, Da:	2.78
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzoate

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1OCC(F)(F)F)[O-]

DOS

IR

Vibrations