Geometry & MOs

Info

ID:	184222
PubChem CID:	77129553
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	271.002319
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	4.0
IP(EA), eV:	-9.23(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CC=CC(=C2)C(C(=O)O)N

DOS

IR

Vibrations