Geometry & MOs

Info

ID:	288347
PubChem CID:	104315199
Reduced:	BrSN3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	330.97788
ΔH_f, kcal/mol:	95.83
Dipole, Da:	2.64
IP(EA), eV:	-8.25(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5-bromopyridin-2-yl)-1,3-thiazol-4-yl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)C3=NC=C(C=C3)Br)N

DOS

IR

Vibrations