Geometry & MOs

Info

ID:	199510
PubChem CID:	79257815
Reduced:	BrN2F3O3H8C10 (1)
Stoich.:	AB2C3D3E8F10 (1)
Weight, g/mol:	403.94809
ΔH_f, kcal/mol:	-246.14
Dipole, Da:	6.05
IP(EA), eV:	-10.49(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-iodo-2-nitro-N-(2,2,2-trifluoroethyl)anilino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C(=O)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations