Geometry & MOs

Info

ID:	375126
PubChem CID:	131472569
Reduced:	BrION2F3H5C7 (1)
Stoich.:	ABCD2E3F5G7 (1)
Weight, g/mol:	395.85821
ΔH_f, kcal/mol:	-155.25
Dipole, Da:	1.68
IP(EA), eV:	-9.16(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-5-iodo-6-(trifluoromethoxy)pyridin-3-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)CBr)N)OC(F)(F)F)I

DOS

IR

Vibrations