Geometry & MOs

Info

ID:	292969
PubChem CID:	117367278
Reduced:	NO2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	246.086764
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	5.97
IP(EA), eV:	-9.04(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,2,2-trifluoroethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CNC(=O)N1C2=CC=C(C=C2)C(=O)C(=O)O

DOS

IR

Vibrations