Geometry & MOs

Info

ID:	288288
PubChem CID:	104314713
Reduced:	OBr2N2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	405.93148
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	3.01
IP(EA), eV:	-9.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-2-(2,4-difluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CNC(C1CCOCC1)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations