Geometry & MOs

Info

ID:	203044
PubChem CID:	79768087
Reduced:	Br2N2O3H8C13 (1)
Stoich.:	A2B2C3D8E13 (1)
Weight, g/mol:	351.01315
ΔH_f, kcal/mol:	9.63
Dipole, Da:	8.09
IP(EA), eV:	-9.61(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-(4-fluoro-2-iodoanilino)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)Br)[N+](=O)[O-])Br

DOS

IR

Vibrations