Geometry & MOs

Info

ID:	265346
PubChem CID:	103517786
Reduced:	BrFN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	292.98336
ΔH_f, kcal/mol:	26.56
Dipole, Da:	2.8
IP(EA), eV:	-8.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(2-methylsulfonylethyl)pyridine-3,4-diamine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C3=C(C=NC=C3N)Br

DOS

IR

Vibrations