Geometry & MOs

Info

ID:	341171
PubChem CID:	127263606
Reduced:	BrNF3H9C15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	338.91196
ΔH_f, kcal/mol:	-100.56
Dipole, Da:	5.82
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-iodo-4-propan-2-ylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=CC(=CC(=C3N2)Br)C(F)(F)F

DOS

IR

Vibrations