Geometry & MOs

Info

ID:	203199
PubChem CID:	79791967
Reduced:	NO2F6H11C12 (1)
Stoich.:	AB2C6D11E12 (1)
Weight, g/mol:	305.123878
ΔH_f, kcal/mol:	-383.89
Dipole, Da:	7.49
IP(EA), eV:	-10.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-methyl-2-[3-(3-methylphenoxy)propylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NCC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations