Geometry & MOs

Info

ID:	341831
PubChem CID:	127264524
Reduced:	BrNO2F3H3C6 (1)
Stoich.:	ABC2D3E3F6 (1)
Weight, g/mol:	336.89782
ΔH_f, kcal/mol:	-215.94
Dipole, Da:	2.46
IP(EA), eV:	-9.68(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-4-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

C1=C(C(=O)NC=C1OC(F)(F)F)Br

DOS

IR

Vibrations