Geometry & MOs

Info

ID:	293242
PubChem CID:	117378287
Reduced:	FN2O4H7C11 (1)
Stoich.:	AB2C4D7E11 (1)
Weight, g/mol:	250.061692
ΔH_f, kcal/mol:	-121.99
Dipole, Da:	2.55
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(2,3,5,6-tetrafluorophenyl)butanoic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=CC(=C2)C3=NNC(=C3)C(=O)O)F

DOS

IR

Vibrations