Geometry & MOs

Info

ID:	375127
PubChem CID:	131472570
Reduced:	BrION2F3H5C7 (1)
Stoich.:	ABCD2E3F5G7 (1)
Weight, g/mol:	395.85821
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	4.37
IP(EA), eV:	-9.03(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-4-iodo-5-(trifluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1I)OC(F)(F)F)CBr)N

DOS

IR

Vibrations