Geometry & MOs

Info

ID:	9850
PubChem CID:	93899
Reduced:	BrNF3H5C7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	238.95575
ΔH_f, kcal/mol:	-144.55
Dipole, Da:	5.34
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)Br)N

DOS

IR

Vibrations