Geometry & MOs

Info

ID:	373578
PubChem CID:	131317479
Reduced:	BrClSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	287.95214
ΔH_f, kcal/mol:	-50.57
Dipole, Da:	4.43
IP(EA), eV:	-9.41(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-(fluoromethyl)-2-(trifluoromethoxy)pyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)C(=O)O)C(=C1CCl)Br

DOS

IR

Vibrations