Geometry & MOs

Info

ID:	288258
PubChem CID:	104314416
Reduced:	Br2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	407.88628
ΔH_f, kcal/mol:	63.83
Dipole, Da:	3.07
IP(EA), eV:	-9.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-3-fluorophenyl)-1-(3,5-dibromopyridin-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(C2=C(C=C(C=N2)Br)Br)N

DOS

IR

Vibrations