Geometry & MOs

Info

ID:	201313
PubChem CID:	79524047
Reduced:	SO2F3N4C6H9 (1)
Stoich.:	AB2C3D4E6F9 (1)
Weight, g/mol:	313.04259
ΔH_f, kcal/mol:	-184.88
Dipole, Da:	6.42
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-nitropyridin-2-yl)-1-cyclopropyl-N-ethylethanamine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)CNS(=O)(=O)C(F)(F)F)N

DOS

IR

Vibrations