Geometry & MOs

Info

ID:	208212
PubChem CID:	80503628
Reduced:	N3C8H13 (1)
Stoich.:	A3B8C13 (1)
Weight, g/mol:	294.086764
ΔH_f, kcal/mol:	25.67
Dipole, Da:	3.62
IP(EA), eV:	-8.87(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2CCCN2

DOS

IR

Vibrations