Geometry & MOs

Info

ID:	373023
PubChem CID:	131308747
Reduced:	BrNH2O2F4C7 (1)
Stoich.:	ABC2D2E4F7 (1)
Weight, g/mol:	286.9205
ΔH_f, kcal/mol:	-235.91
Dipole, Da:	0.82
IP(EA), eV:	-10.56(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-fluoro-5-(trifluoromethoxy)pyridine-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1Br)F)OC(F)(F)F)C=O

DOS

IR

Vibrations