Geometry & MOs

Info

ID:	288276
PubChem CID:	104314539
Reduced:	FOBr2N2H11C13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	414.97179
ΔH_f, kcal/mol:	-18.85
Dipole, Da:	2.72
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-2-(4-methoxy-3,5-dimethylpyridin-2-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)C(C2=C(C=C(C=N2)Br)Br)N

DOS

IR

Vibrations