Geometry & MOs

Info

ID:	288173
PubChem CID:	104312493
Reduced:	BrFN3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	361.8911
ΔH_f, kcal/mol:	25.83
Dipole, Da:	2.24
IP(EA), eV:	-9.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-2-(3-bromothiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C(C2=CC(=CN=C2)F)N

DOS

IR

Vibrations