Geometry & MOs

Info

ID:	29529
PubChem CID:	834798
Reduced:	N4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	272.029643
ΔH_f, kcal/mol:	12.23
Dipole, Da:	2.21
IP(EA), eV:	-8.48(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(trifluoromethoxy)phenyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC12CN3CCN(C1)CC(C3)C2=NN

DOS

IR

Vibrations