Geometry & MOs

Info

ID:	375070
PubChem CID:	131465425
Reduced:	BrClON2F3H5C7 (1)
Stoich.:	ABCD2E3F5G7 (1)
Weight, g/mol:	303.92259
ΔH_f, kcal/mol:	-176.65
Dipole, Da:	3.92
IP(EA), eV:	-10.06(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-3-chloro-6-(trifluoromethoxy)pyridin-4-yl]methanamine

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1Cl)Br)OC(F)(F)F)CN

DOS

IR

Vibrations