Geometry & MOs

Info

ID:	341129
PubChem CID:	127263564
Reduced:	BNO3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	262.061692
ΔH_f, kcal/mol:	-206.56
Dipole, Da:	2.43
IP(EA), eV:	-8.57(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-3-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(N(C2=O)C)C

DOS

IR

Vibrations