Geometry & MOs

Info

ID:	372574
PubChem CID:	131300038
Reduced:	INO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	344.94736
ΔH_f, kcal/mol:	-209.95
Dipole, Da:	4.5
IP(EA), eV:	-9.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-4-iodo-2-(trifluoromethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CC(=O)O)C(F)(F)F)N)I

DOS

IR

Vibrations