Geometry & MOs

Info

ID:	288291
PubChem CID:	104314749
Reduced:	Br2F2N2H10C13 (1)
Stoich.:	A2B2C2D10E13 (1)
Weight, g/mol:	385.95647
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	2.01
IP(EA), eV:	-9.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,5-dibromopyridin-2-yl)-2-(methylamino)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CNC(C1=C(C=CC(=C1)F)F)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations