Geometry & MOs

Info

ID:	206093
PubChem CID:	80201840
Reduced:	SH5N5C8 (1)
Stoich.:	AB5C5D8 (1)
Weight, g/mol:	383.96597
ΔH_f, kcal/mol:	124.02
Dipole, Da:	3.14
IP(EA), eV:	-9.23(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-1-(5-bromopyridin-3-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

C1=C(C=NC=C1C2=NSN=C2N)C#N

DOS

IR

Vibrations