Geometry & MOs

Info

ID:	372873
PubChem CID:	131306374
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	238.025307
ΔH_f, kcal/mol:	-33.58
Dipole, Da:	5.41
IP(EA), eV:	-9.54(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-methyl-2-(trifluoromethoxy)benzoic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C=C2CO)[N+](=O)[O-])C=O

DOS

IR

Vibrations